SCHEMBL76355

SCHEMBL76355

CC(C)(C)[C@@]1(C(=O)Nc2ccc(N3CCOCC3=O)cc2)C[C@@H](OS(C)(=O)=O)CN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.47
PTGS2 P35354 1/20 0.37

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
SCHEMBL77722 0.90 F10 (0.44) F10
SCHEMBL76576 0.88 F10 (0.47) F10
SCHEMBL76757 0.81 MAPT (0.40) F10
SCHEMBL3114123 0.75 F10 (0.61) F10
SCHEMBL6012138 0.73 F10 (0.57) F10
SCHEMBL76354 0.72 F10 (0.57) F10
SCHEMBL76878 0.72 F10 (0.38) F10
SCHEMBL4202123 0.71 F10 (0.50) F10
SCHEMBL85516 0.71 F10 (0.54) F10
SCHEMBL118847 0.68 F10 (0.60) F10PTGS2

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-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed