SCHEMBL8897705

SCHEMBL8897705

C=CCC(NC(=O)CCC(=O)Nc1ccc(C=NN)cc1)C(CC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.43
ITGA2B P08514 5/20 0.43
POLB P06746 3/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 4/20 0.35
MAPT P10636 4/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 2/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
CA4 P22748 1/20 0.34
CA14 Q9ULX7 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
SCHEMBL9440466 0.85 ITGB3 (0.41) ITGB3ITGA2BPOLBTHRBKMT2A
SCHEMBL7346619 0.84 ITGB3 (0.41) ITGB3ITGA2BPOLBKMT2AMAPT
SCHEMBL8897695 0.82 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL7349677 0.82 CA12 (0.42) POLBKMT2AMAPTHPGDALDH1A1
SCHEMBL7544637 0.81 ITGB3 (0.42) ITGB3ITGA2BPOLBKMT2AMAPT
SCHEMBL7353190 0.80 POLB (0.42) ITGB3ITGA2BPOLBKMT2AMAPT
SCHEMBL7352179 0.79 ITGB3 (0.68) ITGB3ITGA2BPOLBKMT2AMAPT
SCHEMBL7423126 0.78 POLB (0.45) ITGB3ITGA2BPOLBKMT2AMAPT
SCHEMBL7346326 0.77 ITGB3 (0.39) ITGB3ITGA2BPOLBKMT2AMAPT
SCHEMBL7352241 0.77 ITGB3 (0.52) ITGB3ITGA2BPOLBKMT2AMAPT

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
EP-0614360-B1 SUBSTITUTED BETA-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1997-03-19 EP claimed