SCHEMBL8995543

SCHEMBL8995543

CC(CC(=O)O)C(=O)NCCCCc1ccc(C(=N)N)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.61
ITGA2B P08514 12/20 0.61
ST14 Q9Y5Y6 2/20 0.52
PRSS1 P07477 3/20 0.49
TMPRSS15 P98073 2/20 0.49
F10 P00742 2/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL8995552 1.00 ITGB3 (0.61) ITGB3ITGA2BST14PRSS1TMPRSS15
SCHEMBL7384435 0.83 ITGB3 (0.71) ITGB3ITGA2BST14
SCHEMBL8995531 0.81 ITGB3 (0.51) ITGB3ITGA2BST14PRSS1F10
SCHEMBL7474092 0.81 ITGB3 (0.51) ITGB3ITGA2BST14PRSS1F10
SCHEMBL7422860 0.80 ITGB3 (0.61) ITGB3ITGA2BST14PRSS1F10
SCHEMBL9385559 0.80 ITGB3 (0.52) ITGB3ITGA2BST14PRSS1TMPRSS15
SCHEMBL7412411 0.80 ITGB3 (0.61) ITGB3ITGA2BST14PRSS1F10
SCHEMBL7421017 0.80 ITGB3 (0.61) ITGB3ITGA2BST14PRSS1F10
SCHEMBL7412408 0.80 ITGB3 (0.61) ITGB3ITGA2BST14PRSS1F10
SCHEMBL7425557 0.78 ITGB3 (0.62) ITGB3ITGA2BPRSS1TMPRSS15F10

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
US-5552431-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-09-03 US disclosed
US-5424334-A Peptide mimetic compounds useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-06-13 US disclosed