SCHEMBL8538079

SCHEMBL8538079

O=CNCC(C(=O)O)=C(c1ccccc1)c1cccc(NC2=NCCN2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.48
ITGAV P06756 17/20 0.48
ITGA2B P08514 16/20 0.48
ITGB1 P05556 9/20 0.48
ITGB5 P18084 9/20 0.48
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ITGA5 P08648 1/20 0.42
ITGB6 P18564 1/20 0.42
ITGB8 P26012 1/20 0.42
ITGA8 P53708 1/20 0.42

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
SCHEMBL8538619 0.94 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8542414 0.87 PTGIR (0.39) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8542609 0.82 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8542565 0.81 NPC1 (0.44)
SCHEMBL8538630 0.79 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8541765 0.78 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7753126 0.77 ADRA2A (0.58) ITGB3ITGAVITGA2BITGB1ITGB5
Hydrochloric Acid SCHEMBL7562956 0.76 ADRA2A (0.57) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8537926 0.76 ITGB3 (0.50) ITGB3ITGAVITGA2BITGB1ITGB5
Hydrochloric Acid SCHEMBL6224028 0.74 ITGB3 (0.58) 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