Acetic Acid

Acetic Acid

SCHEMBL7290478

CC(=O)O.CCN1C[C@@H](C(O)[C@@H](N)CC2CCCCC2)OC1=O

nearest known ligand 0.40

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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 3)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.40
METAP2 P50579 3/20 0.37
METAP1 P53582 2/20 0.37

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
SCHEMBL7385187 0.95 REN (0.39) RENMETAP2METAP1
SCHEMBL7385184 0.95 REN (0.39) RENMETAP2METAP1
SCHEMBL7280466 0.95 REN (0.39) RENMETAP2METAP1
SCHEMBL7273148 0.95 REN (0.39) RENMETAP2METAP1
SCHEMBL7280572 0.95 REN (0.39) RENMETAP2METAP1
Hydrochloric Acid SCHEMBL7382340 0.94 REN (0.39) RENMETAP2METAP1
Hydrochloric Acid SCHEMBL7382336 0.94 REN (0.39) RENMETAP2METAP1
Hydrochloric Acid SCHEMBL7382092 0.94 REN (0.39) RENMETAP2METAP1
Hydrochloric Acid SCHEMBL7376798 0.94 REN (0.39) RENMETAP2METAP1
Hydrochloric Acid SCHEMBL7382344 0.94 REN (0.39) RENMETAP2METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP disclosed