SCHEMBL8520925

SCHEMBL8520925

CCC(=CC(=O)O)c1ccc(NC(=O)c2cccc(-c3ccc(NC(=N)N)cc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAU P00749 10/20 0.49
PLAT P00750 4/20 0.49
NR1H4 Q96RI1 1/20 0.48
F2R P25116 1/20 0.46
PLG P00747 3/20 0.45
F10 P00742 1/20 0.45
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
PTPN1 P18031 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
SCHEMBL8520757 0.90 KMT2A (0.51) PLAUPLATNR1H4PLGF10
SCHEMBL7505498 0.76 KMT2A (0.57) PLAUPLATPLGPOLBITGB3
SCHEMBL7505503 0.76 KMT2A (0.57) PLAUPLATPLGPOLBITGB3
SCHEMBL7503148 0.74 KMT2A (0.55) PLAUPLATPLGPOLBITGB3
SCHEMBL7503147 0.74 KMT2A (0.55) PLAUPLATPLGPOLBITGB3
SCHEMBL7499925 0.74 LMNA (0.47) F10
SCHEMBL27760395 0.74 PTPN1 (0.76) PLAUNR1H4F2RCCNCCDK8
SCHEMBL27113200 0.71 CYP3A4 (0.54) POLBCYP3A4
SCHEMBL8745242 0.71 PTPN1 (0.77) PLAUNR1H4F2RCCNCCDK8
SCHEMBL8520753 0.70 KMT2A (0.48) PLAUPLATNR1H4PLGPOLB

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
EP-0894084-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-02-03 EP claimed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed