SCHEMBL8538630

SCHEMBL8538630

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.51
ITGAV P06756 15/20 0.51
ITGA2B P08514 15/20 0.51
ITGB1 P05556 6/20 0.51
ITGB5 P18084 6/20 0.51
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
PTGIR P43119 1/20 0.43

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
SCHEMBL8537499 0.94 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8538632 0.83 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7753126 0.81 ADRA2A (0.58) ITGB3ITGAVITGA2BITGB1ITGB5
Hydrochloric Acid SCHEMBL7562956 0.80 ADRA2A (0.57) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8538079 0.79 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8537508 0.78 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB1ITGB5
Benzophenone SCHEMBL5084127 0.75 ADRA2A (0.80) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8537926 0.75 ITGB3 (0.50) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8539563 0.74 PTGIR (0.55) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL30073956 0.73 ITGB3 (0.63) 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