SCHEMBL9558494

SCHEMBL9558494

CCOC(=O)CC(NC(=O)C1CCC1C(=O)Nc1ccc(C(=N)N)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.51
ITGA2B P08514 8/20 0.51
F2 P00734 8/20 0.50
F10 P00742 5/20 0.47
LMNA P02545 1/20 0.44
PRSS1 P07477 1/20 0.43
F7 P08709 4/20 0.43
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
SCHEMBL9558989 0.96 F2 (0.51) ITGB3ITGA2BF2F10LMNA
SCHEMBL9558994 0.96 F2 (0.53) ITGB3ITGA2BF2F10LMNA
SCHEMBL9559140 0.96 ITGB3 (0.51) ITGB3ITGA2BF2F10LMNA
SCHEMBL9558976 0.87 ITGB3 (0.66) ITGB3ITGA2BF2F7
SCHEMBL7086286 0.86 ITGB3 (0.54) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7086294 0.86 ITGB3 (0.54) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9558512 0.84 LMNA (0.43) LMNARAB9A
SCHEMBL7414815 0.84 ITGB3 (0.50) ITGB3ITGA2BF2F7
SCHEMBL7417191 0.84 ITGB3 (0.50) ITGB3ITGA2BF2F7
SCHEMBL9558987 0.83 ITGB3 (0.64) ITGB3ITGA2BF2LMNAF7

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