SCHEMBL8537899

SCHEMBL8537899

CCc1cccc(C(C(=O)O)=C(N)C(=O)c2cccc(NC3=NCCN3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.49
ITGAV P06756 15/20 0.49
ITGA2B P08514 13/20 0.49
ITGB1 P05556 7/20 0.45
ITGB5 P18084 7/20 0.45
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
PTGIR P43119 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
ITGA5 P08648 1/20 0.40
ITGB6 P18564 1/20 0.40
ITGB8 P26012 1/20 0.40
ITGA8 P53708 1/20 0.40

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
SCHEMBL8538025 0.85 ITGB3 (0.49) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8541012 0.82 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL14367989 0.78 NISCH (0.58) ADRA2AADRA2BADRA2CPTGIRNISCH
SCHEMBL7753126 0.74 ADRA2A (0.58) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8544139 0.74 KAT6A (0.38)
Hydrochloric Acid SCHEMBL7562956 0.73 ADRA2A (0.57) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8538084 0.72 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8538632 0.71 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8541769 0.70 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8537926 0.69 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 1 patent. 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