Acetic Acid

Acetic Acid

SCHEMBL31293492

C=C(CCCCCCCCCCCCCCC)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)O.CC(=O)O

nearest known ligand 0.65

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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 12)

geneUniProtsupporting neighboursconfidence
▸ GHSR known ✓ Q92847 1/20 0.38
▸ SLC15A2 Q16348 1/20 0.65
▸ SLC6A5 Q9Y345 2/20 0.55
▸ FAAH O00519 2/20 0.44
▸ CNR1 P21554 2/20 0.44
▸ CNR2 P34972 2/20 0.44
▸ CPB2 Q96IY4 1/20 0.41
▸ REN P00797 3/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ IL23R Q5VWK5 1/20 0.38

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
SCHEMBL29875979 0.98 SLC15A2 (0.67) SLC15A2SLC6A5FAAHCNR1CNR2
SCHEMBL26006164 0.91 SLC15A2 (0.70) SLC15A2SLC6A5FAAHCNR1CNR2
Acetic Acid SCHEMBL29453855 0.85 SLC15A2 (0.59) SLC15A2SLC6A5FAAHCNR1CNR2
SCHEMBL22314402 0.84 SLC15A2 (0.69) SLC15A2SLC6A5FAAHCNR1CNR2
Acetic Acid SCHEMBL31696243 0.83 SLC15A2 (0.94) SLC15A2SLC6A5CPB2RENEPHX2
Acetic Acid SCHEMBL29360257 0.82 SLC15A2 (0.92) SLC15A2SLC6A5CPB2RENEPHX2
SCHEMBL16731429 0.81 SLC15A2 (0.76) SLC15A2SLC6A5CPB2RENEPHX2
SCHEMBL30175135 0.80 SLC15A2 (1.00) SLC15A2SLC6A5CPB2RENEPHX2
SCHEMBL22462015 0.80 SLC15A2 (1.00) SLC15A2SLC6A5CPB2RENEPHX2
SCHEMBL19087235 0.80 SLC15A2 (1.00) SLC15A2SLC6A5CPB2RENEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4464307-A1 COSMETIC COMPOSITION AND METHODS OF MAKING THE SAME MPLUS COSMETICS S.R.L. (IT) 2024-11-20 — — EP disclosed
US-20240374498-A1 COSMETIC COMPOSITION AND METHODS OF MAKING THE SAME MPLUS COSMETICS S.R.L. (IT) 2024-11-14 — — US disclosed
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