Acetic Acid

Acetic Acid

SCHEMBL987502

C=Cc1ccc(C(C)(C)N)c(C)c1.CC(=O)O

nearest known ligand 0.35

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
▸ ESR1 known ✓ P03372 1/20 0.31
▸ ESR2 known ✓ Q92731 1/20 0.31
▸ CYP2C19 P33261 1/20 0.35
▸ TP53 P04637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ RARA P10276 1/20 0.31
▸ RARB P10826 1/20 0.31
▸ RARG P13631 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MCL1 Q07820 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HDAC3 O15379 2/20 0.31
▸ HDAC1 Q13547 2/20 0.31
▸ HDAC2 Q92769 2/20 0.31
▸ CYP2C9 P11712 1/20 0.30
▸ LRRK2 Q5S007 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
Hydrochloric Acid SCHEMBL987591 0.89 TP53 (0.38) TP53TDP1TRPA1ALDH1A1
Bromide SCHEMBL986860 0.89 TP53 (0.38) TP53TDP1TRPA1ALDH1A1
SCHEMBL29061760 0.76 ALDH1A1 (0.42) TDP1PTGS2TSHRALDH1A1
SCHEMBL1204171 0.76 TP53 (0.42) CYP2C19TP53TDP1TRPA1PTGS2
SCHEMBL28280668 0.73 TP53 (0.39) TP53TDP1TRPA1PTGS2ALDH1A1
SCHEMBL15496943 0.71 AR (0.41) TP53TDP1TRPA1PTGS2ALDH1A1
Acetic Acid SCHEMBL1047016 0.71 HPGD (0.40) CYP2C19TDP1CYP1A2CYP2D6ALDH1A1
SCHEMBL940632 0.69 MCL1 (0.48) TP53TDP1TRPA1RARBCYP1A2
SCHEMBL12653960 0.69 TDP1 (0.39) TP53TDP1TRPA1MCL1ESR1
SCHEMBL15499223 0.69 SMN1; SMN2 (0.41) TP53TDP1TRPA1PTGS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703239-B2 Image forming method FUJIFILM CORPORATION (JP) 2014-04-22 — — US disclosed
EP-1866166-B1 INK SET FOR INK JET RECORDING, INK FOR INK JET RECORDING, AND INK JET IMAGE RECORDING METHOD FUJIFILM CORP (JP) 2012-10-24 — — EP disclosed
US-8220911-B2 Inkjet recording method FUJIFILM CORPORATION (JP) 2012-07-17 — — US disclosed
US-8187675-B2 Image forming method FUJIFILM CORPORATION (JP) 2012-05-29 — — US disclosed
US-8038254-B2 Ink set and image forming method FUJIFILM CORPORATION (JP) 2011-10-18 — — US disclosed
US-7984983-B2 Inkjet recording method FUJIFILM CORPORATION (JP) 2011-07-26 — — US disclosed
US-7906186-B2 Ink jet recording medium FUJIFILM CORPORATION (JP) 2011-03-15 — — US disclosed
US-7866807-B2 Ink set for ink jet recording, ink for ink jet recording, and ink jet image recording method FUJIFILM CORPORATION (JP) 2011-01-11 — — US disclosed
US-7857407-B2 Image forming apparatus FUJIFILM CORPORATION (JP) 2010-12-28 — — US disclosed
US-7753462-B2 Image forming apparatus FUJIFILM CORPORATION (JP) 2010-07-13 — — US disclosed
US-20040241347-A1 Recording medium FUJI PHOTO FILM CO., LTD. 2004-12-02 — — US disclosed
EP-1481812-A2 Recording medium FUJI PHOTO FILM CO., LTD. (JP) 2004-12-01 — — EP disclosed
US-20040167025-A1 Information medium FUJI PHOTO FILM CO., LTD. 2004-08-26 — — US disclosed
US-20040166252-A1 Ink jet recording medium and ink jet recording method FUJI PHOTO FILM CO., LTD. 2004-08-26 — — US disclosed
EP-1450359-A2 Information medium FUJI PHOTO FILM CO., LTD. (JP) 2004-08-25 — — EP disclosed
EP-1426194-A2 Ink jet recording medium and ink jet recording method FUJI PHOTO FILM CO., LTD. (JP) 2004-06-09 — — EP disclosed
US-20040101640-A1 Ink jet recording sheet FUJI PHOTO FILM CO., LTD. 2004-05-27 — — US disclosed
EP-1422071-A1 Ink jet recording sheet Fuji Photo Film Co., Ltd. (JP) 2004-05-26 — — EP disclosed
US-20030198885-A1 Recording material support, process for manufacturing the same, recording material and process for image formation FUJI PHOTO FILM CO., LTD. 2003-10-23 — — US disclosed
EP-1325815-A2 Ink-jet recording sheet FUJI PHOTO FILM CO., LTD. (JP) 2003-07-09 — — EP disclosed
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