Acetic Acid

Acetic Acid

SCHEMBL8076703

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(CNC(N=C=S)c1ccccc1)NCCN

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 known ✓ P07550 2/20 0.32
▸ ADRA2B known ✓ P18089 1/20 0.32
▸ ADRA2C known ✓ P18825 1/20 0.32
▸ MC4R known ✓ P32245 1/20 0.32
▸ OPRK1 known ✓ P41145 1/20 0.32
▸ SCN5A known ✓ Q14524 1/20 0.32
▸ GHSR known ✓ Q92847 1/20 0.32
▸ MIF P14174 3/20 0.39
▸ APAF1 O14727 1/20 0.38
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MTNR1A P48039 2/20 0.33
▸ MTNR1B P49286 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ANPEP P15144 1/20 0.33
▸ ADRB1 P08588 3/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Acetic Acid SCHEMBL14322291 0.89 APAF1 (0.39) APAF1TP53CYP1A2CYP2D6ALOX15
SCHEMBL1334903 0.74 MIF (0.41) MIFCYP1A2CYP2D6ALOX15TSHR
Acetic Acid SCHEMBL8076699 0.73 OPRD1 (0.36) APAF1SIGMAR1OPRK1MEN1KMT2A
Benzyl Isothiocyanate SCHEMBL28996243 0.72 MIF (0.49) MIFTP53CYP1A2CYP2D6ALOX15
Acetic Acid SCHEMBL28995037 0.72 ANPEP (0.40) TP53CYP1A2CYP2D6ALOX15TSHR
Acetic Acid SCHEMBL29123031 0.72 MTNR1A (0.35) APAF1MTNR1AMTNR1BKMT2A
Acetic Acid SCHEMBL27982197 0.70 ANPEP (0.46) TP53CYP1A2CYP2D6ALOX15TSHR
Acetic Acid SCHEMBL29156192 0.70 P2RY6 (0.36) CYP1A2CYP2D6TSHRANPEPMEN1
Acetic Acid SCHEMBL27951213 0.69 MTNR1A (0.45) APAF1TP53CYP1A2CYP2D6ALOX15
Acetic Acid SCHEMBL14322290 0.67 OPRK1 (0.33) APAF1SIGMAR1OPRK1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118355029-A Methods of treating diffuse large B-cell lymphomas using anti-CD 79B immunoconjugates 基因泰克公司 2024-07-16 — — CN disclosed
CN-113621062-B Antibodies that bind to CD3 豪夫迈·罗氏有限公司 2024-07-02 — — CN disclosed
CN-118271445-A Antibodies that bind to CD3 豪夫迈·罗氏有限公司 2024-07-02 — — CN disclosed
CN-110998329-B Method for qualitatively and/or quantitatively analyzing characteristics of activatable antibodies and use thereof 西托姆克斯治疗公司 2024-06-25 — — CN disclosed
CN-112513085-B PSMA binding agents and uses thereof 詹森生物科技公司 2024-06-18 — — CN disclosed
CN-118184781-A Anti-CD 3 binding domains and antibodies comprising them and methods of their production and use 阿迪马布有限责任公司 2024-06-14 — — CN disclosed
CN-118201637-A Methods of treating Tau pathology 基因泰克公司 2024-06-14 — — CN disclosed
CN-118176018-A Anti-ACVR 2A antibodies and uses thereof 来凯医药科技(上海)有限公司 2024-06-11 — — CN disclosed
CN-118165076-A Matrix metalloproteinase substrates and other cleavable moieties and methods of use thereof 西托姆克斯治疗公司 2024-06-11 — — CN disclosed
CN-112812183-B Anti-IL-36R antibodies 勃林格殷格翰国际有限公司 2024-06-11 — — CN disclosed
US-20180339041-A1 ANTI HUMAN Gas6 MONOCLONAL ANTIBODY KYOWA HAKKO KIRIN CO., LTD. (JP) 2018-11-29 — — US disclosed
US-10100120-B2 Antibody which specifically binds to human CRTH2 KYOWA HAKKO KIRIN CO., LTD (JP) 2018-10-16 — — US disclosed
US-20180222994-A1 ANTIBODY WHICH SPECIFICALLY BINDS TO HUMAN CRTH2 KYOWA HAKKO KIRIN CO., LTD (JP) 2018-08-09 — — US disclosed
EP-3323832-A1 ANTIBODY WHICH SPECIFICALLY BINDS TO HUMAN CRTH2 Kyowa Hakko Kirin Co., Ltd. (JP) 2018-05-23 — — EP disclosed
US-9938349-B2 Antibody which specifically binds to human CRTH2 KYOWA HAKKO KIRIN CO., LTD (JP) 2018-04-10 — — US disclosed
EP-3211080-A1 ANTI HUMAN Gas6 MONOCLONAL ANTIBODY Kyowa Hakko Kirin Co., Ltd. (JP) 2017-08-30 — — EP disclosed
US-20170121415-A1 ANTIBODY WHICH SPECIFICALLY BINDS TO HUMAN CRTH2 KYOWA HAKKO KIRIN CO., LTD (JP) 2017-05-04 — — US disclosed
EP-1047457-A2 USE OF RADIOLABELED MONOCLONAL IgM IN THERAPY FOR CANCER AND AUTOIMMUNE DISEASE MCA Development B.V. (NL) 2000-11-02 — — EP disclosed
WO-1999036105-A9 USE OF RADIOLABELED MONOCLONAL IgM IN THERAPY FOR CANCER AND AUTOIMMUNE DISEASE MCA DEV B V (NL) 1999-10-21 — — WO disclosed
WO-1999036105-A2 USE OF RADIOLABELED MONOCLONAL IgM IN THERAPY FOR CANCER AND AUTOIMMUNE DISEASE MCA DEVELOPMENT B.V. (NL) 1999-07-22 — — WO disclosed
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