SCHEMBL8538619

SCHEMBL8538619

O=CNCC(C(=O)O)=C(c1ccccc1)c1cccc(NC2=NCCCN2)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.52
ITGAV P06756 20/20 0.52
ITGA2B P08514 14/20 0.52
ITGB1 P05556 8/20 0.52
ITGB5 P18084 8/20 0.52
ITGB6 P18564 5/20 0.44

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
SCHEMBL8538079 0.94 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8542609 0.88 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8541765 0.84 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8542414 0.82 PTGIR (0.39) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8537499 0.80 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8542565 0.79 NPC1 (0.44)
SCHEMBL6225428 0.78 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL30073956 0.78 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8537508 0.75 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8541005 0.74 ITGB3 (0.50) ITGB3ITGAVITGA2BITGB1ITGB5

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-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US claimed
US-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US disclosed