Acetic Acid

Acetic Acid

SCHEMBL28599804

C=C(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)OC.CC(=O)[O-].[Cu+]

nearest known ligand 0.43

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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 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 3/20 0.33
FABP7 O15540 1/20 0.33
FABP3 P05413 1/20 0.33
FABP5 Q01469 1/20 0.33
CUL4A Q13619 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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 SCHEMBL28610225 0.89 LMNA (0.44) LMNAMEN1KMT2AMAPTSMN1; SMN2
Acetic Acid SCHEMBL28608762 0.89 LMNA (0.44) LMNAMEN1KMT2AMAPTSMN1; SMN2
Acetic Acid SCHEMBL28610232 0.84 KMT2A (0.44) MEN1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL4906665 0.77 LMNA (0.44) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11168519 0.75 KMT2A (0.49) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL30459416 0.74 LMNA (0.47) LMNAMAPTSMN1; SMN2NPSR1TSHR
SCHEMBL432360 0.74 LMNA (0.47) LMNAMAPTSMN1; SMN2NPSR1TSHR
Acetic Acid SCHEMBL28596119 0.74 TDP1 (0.47) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7219984 0.74 GAA (0.39) LMNAMEN1KMT2AMAPTSMN1; SMN2
Acetic Acid SCHEMBL28592713 0.74 TDP1 (0.47) LMNAMEN1KMT2AMAPTSMN1; SMN2

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
CN-106905802-B Antifouling coating composition and coated article having coating film thereof 关西涂料株式会社 2021-06-25 CN disclosed