Acetic Acid

Acetic Acid

SCHEMBL8076699

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(CNCc1ccccc1N=C=S)NCCN

nearest known ligand 0.36

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 18)

geneUniProtsupporting neighboursconfidence
▸ NOS3 known ✓ P29474 2/20 0.32
▸ NOS1 known ✓ P29475 2/20 0.32
▸ NOS2 known ✓ P35228 2/20 0.32
▸ OPRK1 known ✓ P41145 1/20 0.30
▸ OPRD1 P41143 1/20 0.36
▸ SCN9A Q15858 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ PRMT3 O60678 1/20 0.31
▸ CARM1 Q86X55 1/20 0.31
▸ PRMT6 Q96LA8 1/20 0.31
▸ PRMT1 Q99873 1/20 0.31
▸ PRMT8 Q9NR22 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ APAF1 O14727 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRB2 P47870 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30

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 SCHEMBL14322290 0.90 OPRK1 (0.33) NOS3NOS1NOS2KMT2AKDM4E
Acetic Acid SCHEMBL29156192 0.80 P2RY6 (0.36) OPRD1KMT2AKDM4EMEN1
Acetic Acid SCHEMBL28995037 0.78 ANPEP (0.40) KMT2AOPRK1MEN1SIGMAR1
Acetic Acid SCHEMBL27982197 0.77 ANPEP (0.46) KMT2AOPRK1MEN1SIGMAR1
SCHEMBL7061211 0.74 CHRM2 (0.40) KDM4E
Acetic Acid SCHEMBL29156189 0.73 TSHR (0.38) KMT2AKDM4EOPRK1MEN1
Acetic Acid SCHEMBL8076703 0.73 MIF (0.39) KMT2AOPRK1APAF1MEN1SIGMAR1
SCHEMBL28134518 0.70 SIGMAR1 (0.47) KMT2AOPRK1MEN1SIGMAR1
Benzyl Isothiocyanate SCHEMBL28996243 0.69 MIF (0.49) SIGMAR1
Acetic Acid SCHEMBL14322291 0.67 APAF1 (0.39) KMT2AOPRK1APAF1MEN1SIGMAR1

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-118271445-A Antibodies that bind to CD3 豪夫迈·罗氏有限公司 2024-07-02 — — 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-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-118201637-A Methods of treating Tau pathology 基因泰克公司 2024-06-14 — — 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-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-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-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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