SCHEMBL9558989

SCHEMBL9558989

CCOC(=O)CC(NC(=O)C1CCCCC1C(=O)Nc1ccc(C(=N)N)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.51
ITGB3 P05106 6/20 0.49
ITGA2B P08514 6/20 0.49
F10 P00742 4/20 0.46
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
PRSS1 P07477 1/20 0.42
F7 P08709 3/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL9558994 0.98 F2 (0.53) F2ITGB3ITGA2BF10CYP2C19
SCHEMBL9558494 0.96 ITGB3 (0.51) F2ITGB3ITGA2BF10LMNA
SCHEMBL9559140 0.93 ITGB3 (0.51) F2ITGB3ITGA2BF10LMNA
SCHEMBL9558987 0.88 ITGB3 (0.64) F2ITGB3ITGA2BLMNAF7
SCHEMBL9558988 0.86 ITGB3 (0.64) F2ITGB3ITGA2BF7
SCHEMBL9559001 0.85 LMNA (0.42) CYP2C19LMNARAB9A
SCHEMBL9558976 0.83 ITGB3 (0.66) F2ITGB3ITGA2BF7
SCHEMBL9559004 0.83 LMNA (0.42) F2LMNARAB9A
SCHEMBL7086286 0.82 ITGB3 (0.54) F2ITGB3ITGA2BF10PRSS1
SCHEMBL7086294 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