SCHEMBL12844832

SCHEMBL12844832

CC(C)CC(Oc1ccc([N+](=O)[O-])c(N)c1)C(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.50
PTGS2 P35354 1/20 0.49

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
SCHEMBL8363702 0.89 F10 (0.46) F10PTGS2
SCHEMBL12844833 0.89 F10 (0.55) F10PTGS2
SCHEMBL12844501 0.87 F10 (0.53) F10PTGS2
SCHEMBL12777475 0.84 F10 (0.51) F10PTGS2
SCHEMBL12777476 0.83 F10 (0.51) F10PTGS2
SCHEMBL2071592 0.80 PTGS2 (0.50) F10PTGS2
SCHEMBL2072679 0.80 PTGS2 (0.50) F10PTGS2
SCHEMBL2072796 0.79 F10 (0.51) F10PTGS2
SCHEMBL2071548 0.79 F10 (0.49) F10PTGS2
SCHEMBL2073183 0.79 F10 (0.51) 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-7902223-B2 For therapy and prophylaxis of thromboses, myocardial infarction, arteriosclerosis, inflammation, apoplexia, angina pectoris, restenosis after angioplasty, claudicatio intermittens, migraine, tumours, tumour diseases and/or tumour metastases MERCK PATENT GMBH (DE) 2011-03-08 US disclosed