SCHEMBL6954041

SCHEMBL6954041

COC(=O)CC(NC(=O)OCc1ccccc1)C(=O)CNCc1cc(C(=O)O)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 16/20 0.44

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
SCHEMBL6954029 1.00 CASP1 (0.44) CASP1
SCHEMBL4030680 0.89 TACR1 (0.48) CASP1
SCHEMBL4023426 0.89 CASP1 (0.42) CASP1
SCHEMBL4023417 0.89 CASP1 (0.42) CASP1
SCHEMBL4030676 0.89 TACR1 (0.48) CASP1
Dicyclohexylcarbodiimide SCHEMBL7331275 0.89 CASP1 (0.41) CASP1
SCHEMBL4021273 0.88 CTSK (0.46) CASP1
SCHEMBL4022451 0.86 ATM (0.43) CASP1
SCHEMBL4022449 0.86 ATM (0.43) CASP1
SCHEMBL6954036 0.83 MEN1 (0.48)

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-0738150-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
US-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed