SCHEMBL7495121

SCHEMBL7495121

CCOC(=O)C=Cc1ccc(NC(=O)c2cccc(NC=NN)c2)c(CC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.53
ITGAV P06756 6/20 0.53
ITGA2B P08514 6/20 0.53
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 3/20 0.42
MAPK1 P28482 3/20 0.42
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
TTR P02766 1/20 0.41
DPP4 P27487 1/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 4/20 0.40
PTGS2 P35354 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
SCHEMBL7496765 0.92 ITGB3 (0.51) ITGB3ITGAVITGA2BSMN1; SMN2LMNA
SCHEMBL7494353 0.90 ITGB3 (0.49) ITGB3ITGAVITGA2BSMN1; SMN2LMNA
SCHEMBL7504217 0.89 ITGB3 (0.67) ITGB3ITGAVITGA2BKCNK3KCNK9
SCHEMBL7510036 0.88 CA12 (0.49) ITGB3ITGAVITGA2BSMN1; SMN2LMNA
SCHEMBL7495116 0.87 ITGB3 (0.55) ITGB3ITGAVITGA2BKCNK3KCNK9
SCHEMBL7495105 0.87 ITGB3 (0.55) ITGB3ITGAVITGA2BKCNK3KCNK9
SCHEMBL7498899 0.84 ITGB3 (0.49) ITGB3ITGAVITGA2BSMN1; SMN2LMNA
SCHEMBL7501540 0.80 ITGB3 (0.52) ITGB3ITGAVITGA2BSMN1; SMN2LMNA
SCHEMBL7502143 0.79 ITGB3 (0.66) ITGB3ITGAVITGA2BMAPTITGB1
SCHEMBL7496758 0.79 ITGB3 (0.52) ITGB3ITGAVITGA2BKCNK3KCNK9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894084-B1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-06-26 EP claimed
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
EP-0894084-B1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-06-26 EP disclosed
EP-0894084-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-02-03 EP disclosed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed