SCHEMBL14192524

SCHEMBL14192524

C=CC(=O)c1ccc(OC(=O)c2ccc(-c3ccc(C4CCC(CCC)CC4)cn3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP2C9 P11712 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
DGAT1 O75907 6/20 0.37
GPR119 Q8TDV5 1/20 0.35
THRA P10827 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL14192513 0.91 CYP2C9 (0.43) THRBTP53MAPTSMN1; SMN2CYP2C9
SCHEMBL14192510 0.89 CYP2C9 (0.52) THRBTP53MAPTSMN1; SMN2CYP2C9
SCHEMBL14192445 0.87 CYP2C9 (0.55) THRBMAPTSMN1; SMN2CYP2C9ALDH1A1
SCHEMBL14192430 0.87 CYP2C9 (0.55) THRBMAPTSMN1; SMN2CYP2C9ALDH1A1
SCHEMBL14192521 0.85 CYP2C9 (0.52) THRBMAPTSMN1; SMN2CYP2C9ALDH1A1
SCHEMBL14192536 0.81 CYP2C9 (0.42) THRBMAPTCYP2C9ALDH1A1LMNA
SCHEMBL14192550 0.79 CYP2C9 (0.63) THRBMAPTCYP2C9ALDH1A1LMNA
SCHEMBL14192414 0.79 CYP2C9 (0.63) THRBMAPTCYP2C9ALDH1A1LMNA
SCHEMBL10740887 0.79 MAPT (0.51) THRBTP53MAPTSMN1; SMN2CYP2C9
SCHEMBL10740900 0.79 MAPT (0.51) THRBTP53MAPTSMN1; SMN2CYP2C9

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
US-7357964-B2 Liquid-crystalline vinyl ketone derivatives and their polymers CHISSO CORPORATION (JP) 2008-04-15 US disclosed