SCHEMBL27558526

SCHEMBL27558526

Nc1ccc(C(=O)O)c(C=Cc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 1/20 0.52
▸ BAD Q92934 1/20 0.52
▸ PTPN1 P18031 4/20 0.50
▸ CYP19A1 P11511 3/20 0.50
▸ MAOA P21397 2/20 0.50
▸ MAOB P27338 2/20 0.50
▸ HNF4A P41235 1/20 0.50
▸ MAPT P10636 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ CYP1B1 Q16678 1/20 0.46
▸ PTPN6 P29350 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ THRB P10828 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL8475379 0.81 BCL2L1 (0.54) BCL2L1BADPTPN1HNF4AMAPT
SCHEMBL10804476 0.81 BCL2L1 (0.54) BCL2L1BADPTPN1HNF4AMAPT
SCHEMBL1172662 0.79 PTPN1 (0.53) BCL2L1BADPTPN1HNF4AALDH1A1
SCHEMBL5387299 0.79 CYP19A1 (0.49) PTPN1CYP19A1MAOAMAOBHNF4A
SCHEMBL5387303 0.79 CYP19A1 (0.49) PTPN1CYP19A1MAOAMAOBHNF4A
SCHEMBL2291774 0.78 GRIK1 (0.58) BCL2L1BADPTPN1HNF4AMAPT
SCHEMBL1019981 0.78 GRIK1 (0.58) BCL2L1BADPTPN1HNF4AMAPT
SCHEMBL29542528 0.78 GRIK1 (0.58) BCL2L1BADPTPN1HNF4AMAPT
SCHEMBL13554389 0.78 GRIK1 (0.58) BCL2L1BADPTPN1HNF4AMAPT
SCHEMBL6303895 0.77 CYP19A1 (0.59) CYP19A1MAOAMAOBMAPTALDH1A1

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-1328365-C Laundry, cleaning and/or fabric care compositions PROCTER & GAMBLE (US) 2007-07-25 — — CN disclosed
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