Acetic Acid

Acetic Acid

SCHEMBL9055380

CC(=O)[O-].CCC(O)C[N+]1(C)CCCCC1

nearest known ligand 0.42

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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
▸ SLC18A3 Q16572 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ APOBEC3A P31941 6/20 0.39
▸ APOBEC3G Q9HC16 6/20 0.39
▸ PABPC1 P11940 3/20 0.39
▸ EIF4H Q15056 1/20 0.39
▸ CTDSP1 Q9GZU7 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ BBOX1 O75936 2/20 0.34
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ GAA P10253 1/20 0.31

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 SCHEMBL9188896 0.98 SLC18A3 (0.43) SLC18A3LMNATSHRCYP3A4TDP1
SCHEMBL17703862 0.89 SLC18A3 (0.49) SLC18A3LMNATSHRCYP3A4TDP1
Acetic Acid SCHEMBL9056408 0.81 LMNA (0.44) LMNATSHRCYP3A4TDP1BLM
Acetic Acid SCHEMBL2455498 0.77 TSHR (0.44) LMNATSHRCYP3A4TDP1BLM
Acetic Acid SCHEMBL9188687 0.75 CYP3A4 (0.33) LMNATSHRCYP3A4TDP1BLM
Acetic Acid SCHEMBL15820199 0.74 BBOX1 (0.42) LMNATSHRCYP3A4TDP1BLM
Acetic Acid SCHEMBL30330546 0.73 BBOX1 (0.47) LMNATSHRCYP3A4TDP1BLM
SCHEMBL10256421 0.72 APOBEC3A (0.46) SLC18A3LMNATSHRCYP3A4TDP1
Acetic Acid SCHEMBL30330339 0.71 BBOX1 (0.48) LMNATSHRCYP3A4TDP1BLM
Acetic Acid SCHEMBL25212436 0.70 BBOX1 (0.53) LMNATSHRCYP3A4TDP1BLM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0314619-B1 Epoxy resin mixture CIBA GEIGY AG (CH) 1996-07-10 — — EP disclosed
US-4885354-A Epoxy resin compositions CIBA-GEIGY CORPORATION (US) 1989-12-05 — — US disclosed
EP-0314619-A2 Epoxy resin mixture CIBA-GEIGY AG (CH) 1989-05-03 — — EP disclosed
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