SCHEMBL8538212

SCHEMBL8538212

CC(=O)C(Oc1cccc(NC2=NCCN2)c1)=C(C(=O)O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.45
ITGAV P06756 9/20 0.45
ITGA2B P08514 8/20 0.45
ITGB1 P05556 4/20 0.45
ITGB5 P18084 4/20 0.45
PTGIR P43119 3/20 0.44
ADRA2A P08913 3/20 0.43
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43
PRSS1 P07477 2/20 0.42
F12 P00748 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
F2 P00734 1/20 0.41
C1R P00736 1/20 0.41
F10 P00742 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
ADRA1D P25100 1/20 0.40
ADRA1A P35348 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
SCHEMBL8538209 0.76 ITGB3 (0.45) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8538632 0.75 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8538784 0.74 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL11168815 0.74 ADRA2A (0.66) PTGIRADRA2AADRA2BADRA2CADRA1D
SCHEMBL7753126 0.74 ADRA2A (0.58) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8538084 0.74 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8537926 0.73 ITGB3 (0.50) ITGB3ITGAVITGA2BITGB1ITGB5
Hydrochloric Acid SCHEMBL7562956 0.73 ADRA2A (0.57) ITGB3ITGAVITGA2BITGB1ITGB5
Hydrochloric Acid SCHEMBL11160123 0.73 ADRA2A (0.64) PTGIRADRA2AADRA2BADRA2CADRA1D
SCHEMBL11764088 0.73 PTGIR (0.69) PTGIRADRA2AADRA2BADRA2CADRA1D

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