SCHEMBL8995540

SCHEMBL8995540

NN=Cc1ccc(CCCCNC(=O)[C@@H](CC(=O)O)n2cccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR1 P21554 1/20 0.37
ASAH1 Q13510 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
PPARG P37231 1/20 0.36
MMP8 P22894 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
NLRP3 Q96P20 1/20 0.35

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
SCHEMBL8995559 0.81 KMT2A (0.44) KMT2AALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL7474092 0.81 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL8995531 0.81 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL8995539 0.80 NAMPT (0.45) KMT2AALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL8995542 0.80 NAMPT (0.45) KMT2AALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL7418987 0.76 LMNA (0.41) KMT2AALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL7384441 0.75 EPHX2 (0.49) KMT2AALDH1A1HPGDITGB3ITGA2B
SCHEMBL7385683 0.75 EPHX2 (0.54) KMT2AALDH1A1HPGDITGB3ITGA2B
SCHEMBL7417109 0.75 CASP1 (0.52) ITGB3ITGA2B
SCHEMBL7414356 0.75 CASP1 (0.52) ITGB3ITGA2B

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-5552431-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-09-03 US disclosed