SCHEMBL7980585

SCHEMBL7980585

CCCCS(=O)(=O)NC(CNC(=O)c1cc(OCCCNC2NCCN2)no1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.45
ITGA2B P08514 17/20 0.45
SMPD1 P17405 1/20 0.41
ITGAV P06756 4/20 0.41
CHRM2 P08172 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL7403042 0.90 ITGB3 (0.42) ITGB3ITGA2BSMPD1ITGAVCHRM2
SCHEMBL7403041 0.88 ITGB3 (0.42) ITGB3ITGA2BSMPD1ITGAVCHRM2
SCHEMBL7979125 0.85 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL7982063 0.85 ITGB3 (0.42) ITGB3ITGA2BSMPD1
SCHEMBL7399998 0.84 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7399991 0.81 ITGB3 (0.38) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL6111432 0.78 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL7407939 0.76 SMPD1 (0.42) ITGB3ITGA2BSMPD1ITGAV
SCHEMBL7969118 0.75 ITGB3 (0.44) ITGB3ITGA2BITGAV
SCHEMBL7985930 0.75 ITGB3 (0.42) ITGB3ITGA2BITGAV

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-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US disclosed