SCHEMBL9558994

SCHEMBL9558994

CCOC(=O)CC(NC(=O)C1CCCC1C(=O)Nc1ccc(C(=N)N)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.53
ITGB3 P05106 7/20 0.49
ITGA2B P08514 7/20 0.49
F10 P00742 4/20 0.46
LMNA P02545 1/20 0.43
PRSS1 P07477 1/20 0.42
F7 P08709 4/20 0.42
CYP2C19 P33261 1/20 0.41

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
SCHEMBL9558989 0.98 F2 (0.51) F2ITGB3ITGA2BF10LMNA
SCHEMBL9558494 0.96 ITGB3 (0.51) F2ITGB3ITGA2BF10LMNA
SCHEMBL9559140 0.93 ITGB3 (0.51) F2ITGB3ITGA2BF10LMNA
SCHEMBL9558988 0.88 ITGB3 (0.64) F2ITGB3ITGA2BF7
SCHEMBL9558987 0.86 ITGB3 (0.64) F2ITGB3ITGA2BLMNAF7
SCHEMBL9559004 0.85 LMNA (0.42) F2LMNA
SCHEMBL9558976 0.83 ITGB3 (0.66) F2ITGB3ITGA2BF7
SCHEMBL9559001 0.83 LMNA (0.42) LMNACYP2C19
SCHEMBL7086294 0.82 ITGB3 (0.54) F2ITGB3ITGA2BF10PRSS1
SCHEMBL7086286 0.82 ITGB3 (0.54) F2ITGB3ITGA2BF10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5239113-A Anticoagulants MONSANTO COMPANY (US) 1993-08-24 US disclosed