SCHEMBL9709396

SCHEMBL9709396

C=CCC(C(=O)O)=C(Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.47
CES2 O00748 1/20 0.47
AKR1B1 P15121 1/20 0.47
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CTBP2 P56545 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 1/20 0.39
PAM P19021 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 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
SCHEMBL9709391 1.00 CES1 (0.47) CES1CES2AKR1B1CYP3A4CYP2C9
SCHEMBL9860999 1.00 CES1 (0.47) CES1CES2AKR1B1CYP3A4CYP2C9
SCHEMBL384895 0.84 CES1 (0.64) CES1CES2AKR1B1CYP3A4CYP2C9
SCHEMBL384894 0.84 CES1 (0.64) CES1CES2AKR1B1CYP3A4CYP2C9
SCHEMBL3881031 0.84 CES1 (0.64) CES1CES2AKR1B1CYP3A4CYP2C9
SCHEMBL9355161 0.82 CES1 (0.44) CES1CES2AKR1B1CYP3A4CYP2C9
SCHEMBL9359455 0.82 CES1 (0.44) CES1CES2AKR1B1CYP3A4CYP2C9
SCHEMBL304071 0.82 CES1 (0.61) CES1CES2AKR1B1CYP3A4CYP2C9
SCHEMBL304073 0.82 CES1 (0.61) CES1CES2AKR1B1CYP3A4CYP2C9
SCHEMBL27870309 0.79 CES1 (0.48) CES1CES2AKR1B1CYP3A4CYP2C9

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-0244835-B1 LANGMUIR-BLODGETT ULTRATHIN MEMBRANE OF POLYFUMURATE NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-08-26 EP claimed
EP-0233299-B1 OPTICAL RESIN AND PROCESS FOR PREPARING THE SAME NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-03-13 EP claimed