SCHEMBL8545467

SCHEMBL8545467

CCCOC(=O)NN=Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(CC(=O)O)O3)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.59
ITGA2B P08514 10/20 0.59
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 2/20 0.37
ASF1A Q9Y294 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6959308 0.93 ITGB3 (0.49) ITGB3ITGA2BKMT2AMEN1RAB9A
SCHEMBL8541201 0.91 ITGB3 (0.63) ITGB3ITGA2BKMT2AMEN1RAB9A
SCHEMBL6957431 0.88 ITGB3 (0.52) ITGB3ITGA2BKMT2AMEN1RAB9A
SCHEMBL6958054 0.86 ITGB3 (0.63) ITGB3ITGA2BKMT2AMEN1POLB
SCHEMBL6951257 0.86 ITGB3 (0.65) ITGB3ITGA2BKMT2AMEN1POLB
SCHEMBL6953125 0.86 ITGB3 (0.67) ITGB3ITGA2BKMT2AMEN1POLB
SCHEMBL6954015 0.85 ITGB3 (0.51) ITGB3ITGA2BKMT2AMEN1RAB9A
SCHEMBL6951967 0.85 ITGB3 (0.61) ITGB3ITGA2BKMT2AMEN1RAB9A
SCHEMBL6948910 0.84 ITGB3 (0.60) ITGB3ITGA2BKMT2AMEN1RAB9A
SCHEMBL8545462 0.84 ITGB3 (0.67) ITGB3ITGA2BKMT2AMEN1RAB9A

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-0804431-A4 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 1998-04-29 EP disclosed
EP-0804431-A1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-11-05 EP disclosed