SCHEMBL8897708

SCHEMBL8897708

NN=Cc1ccc(NC(=O)NCC(=O)NC(CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F7 P08709 9/20 0.49
ITGB3 P05106 7/20 0.48
ITGA2B P08514 6/20 0.48
F2 P00734 5/20 0.47
ITGAV P06756 2/20 0.43
F10 P00742 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ITGB5 P18084 1/20 0.40
ITGB6 P18564 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL9389706 0.89 ITGB3 (0.54) F7ITGB3ITGA2BF2ITGAV
SCHEMBL7353558 0.86 ITGB3 (0.65) ITGB3ITGA2BMEN1KMT2A
SCHEMBL8917851 0.85 F7 (0.43) F7ITGB3ITGA2BF2F10
SCHEMBL9390838 0.81 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL8628345 0.81 F7 (0.76) F7ITGB3ITGA2BF2F10
SCHEMBL8899227 0.79 ALDH1A1 (0.46) ITGB3ITGAVMEN1KMT2ACA12
SCHEMBL7391732 0.78 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL9558887 0.78 ITGB3 (0.43) ITGB3ITGA2BITGAVMEN1KMT2A
SCHEMBL9558990 0.78 ITGB3 (0.43) ITGB3ITGA2BMEN1KMT2A
SCHEMBL9559006 0.76 KCNQ3 (0.44) 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-5703050-A INHIBIT PLATELET AGGREGATION, METASTASIS OF CARCINOMA CELLS, OSTEOCLAST BINDING TO BONE SURFACE HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed