SCHEMBL8539563

SCHEMBL8539563

C=CC(=O)C(=C(C(=O)O)c1ccc(OC)cc1)c1cccc(NC2=NCCN2)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 9/20 0.55
ADRA2A P08913 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
ITGB3 P05106 8/20 0.46
ITGAV P06756 8/20 0.46
ITGA2B P08514 8/20 0.46
ITGB1 P05556 4/20 0.46
ITGB5 P18084 4/20 0.46

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
SCHEMBL8538632 0.80 ITGB3 (0.51) PTGIRADRA2AADRA2BADRA2CITGB3
SCHEMBL8542777 0.75 CA1 (0.44)
SCHEMBL8538630 0.74 ITGB3 (0.51) PTGIRADRA2AADRA2BADRA2CITGB3
SCHEMBL8537508 0.74 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7753126 0.73 ADRA2A (0.58) PTGIRADRA2AADRA2BADRA2CITGB3
SCHEMBL8538784 0.73 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8538212 0.72 ITGB3 (0.45) PTGIRADRA2AADRA2BADRA2CITGB3
SCHEMBL8539560 0.72 ITGB3 (0.59) PTGIRADRA2AADRA2BADRA2CITGB3
Hydrochloric Acid SCHEMBL7562956 0.72 ADRA2A (0.57) ADRA2AADRA2BADRA2CITGB3ITGAV
SCHEMBL8537926 0.72 ITGB3 (0.50) PTGIRADRA2AADRA2BADRA2CITGB3

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