SCHEMBL7772066

SCHEMBL7772066

Cc1cc(Sc2ccccc2)c(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
CASP1 P29466 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ELANE P08246 1/20 0.42
MAOA P21397 1/20 0.42
KAT2B Q92831 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
MGLL Q99685 1/20 0.39
ENPP2 Q13822 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7767872 0.92 KAT2B (0.46) SMN1; SMN2CASP1NPC1RAB9AELANE
SCHEMBL7380302 0.82 NPC1 (0.48) SMN1; SMN2CASP1NPC1RAB9AELANE
SCHEMBL7772069 0.82 KDM4E (0.45) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL7771913 0.80 CASP1 (0.49) SMN1; SMN2CASP1NPC1RAB9AELANE
SCHEMBL7773807 0.78 KAT2B (0.42) SMN1; SMN2CASP1NPC1RAB9AELANE
SCHEMBL7773572 0.78 F2 (0.44) SMN1; SMN2CASP1NPC1RAB9AELANE
SCHEMBL8123909 0.77 CYP1A2 (0.45) SMN1; SMN2CASP1NPC1RAB9AELANE
SCHEMBL2798490 0.76 ELANE (0.64) SMN1; SMN2CASP1NPC1RAB9AELANE
SCHEMBL7773547 0.76 SMN1; SMN2 (0.43) SMN1; SMN2CASP1NPC1RAB9AELANE
SCHEMBL7775651 0.75 LPAR1 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9

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-6252082-B1 CARDIOVASCUALR DISORDERS SANOFI-SYNTHELABO (FR) 2001-06-26 US disclosed