Acetic Acid

Acetic Acid

SCHEMBL29981808

CC(=O)O.NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.53

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 9)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 known ✓ P41145 1/20 0.52
▸ LNPEP Q9UIQ6 2/20 0.53
▸ ERAP2 Q6P179 1/20 0.53
▸ OPRD1 P41143 14/20 0.52
▸ OPRM1 P35372 8/20 0.52
▸ CCKAR P32238 3/20 0.49
▸ CCKBR P32239 3/20 0.49
▸ CD40 P25942 1/20 0.48
▸ NAALAD2 Q9Y3Q0 1/20 0.47

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
SCHEMBL31025663 0.91 LNPEP (0.59) LNPEPERAP2NAALAD2
SCHEMBL31710294 0.91 LNPEP (0.59) LNPEPERAP2NAALAD2
SCHEMBL29531748 0.91 OPRD1 (0.53) OPRD1OPRM1OPRK1
SCHEMBL29590452 0.91 OPRM1 (0.55) OPRD1OPRM1OPRK1
SCHEMBL31236825 0.90 OPRD1 (0.60) LNPEPERAP2OPRD1OPRM1OPRK1
SCHEMBL29376413 0.89 TFPI (0.56) OPRD1OPRM1OPRK1
SCHEMBL30973968 0.88 OPRD1 (0.49) LNPEPERAP2OPRD1OPRM1OPRK1
SCHEMBL31236824 0.88 LNPEP (0.62) LNPEPERAP2OPRD1OPRM1OPRK1
SCHEMBL30973964 0.88 OPRD1 (0.54) LNPEPERAP2OPRD1OPRM1OPRK1
SCHEMBL30273402 0.87 OPRD1 (0.53) OPRD1OPRM1OPRK1CCKARCCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118871122-A Chaperones as autophagy receptors for clearing protein aggregates and/or aggregation-prone proteins 清华大学 2024-10-29 — — CN disclosed
CN-116963608-A Method for selectively promoting animal welfare by modulating microbiota 帝斯曼知识产权资产管理有限公司 2023-10-27 — — CN disclosed
CN-116847872-A Method for reducing pathogenic E.coli by intervention with a selective feed additive comprising an enzyme such as a muramidase 帝斯曼知识产权资产管理有限公司 2023-10-03 — — CN disclosed
CN-115397448-A Delivery of sialidases to cancer cells, immune cells and tumor microenvironment 安迅生物制药公司 2022-11-25 — — CN disclosed
CN-115335530-A Submerged fermentation method 诺维信公司 2022-11-11 — — CN disclosed
CN-115297874-A Immune cell delivery of sialidases to cancer cells, immune cells and tumor microenvironment 安迅生物制药公司 2022-11-04 — — CN disclosed
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