SCHEMBL6153077

SCHEMBL6153077

Cc1cc(-c2cccc(-c3ccc(OCC(=O)O)c4c3C3CCC4C3)n2)c(C)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
PTGDR2 Q9Y5Y4 12/20 0.38
KDM4E B2RXH2 1/20 0.35
PTGDR Q13258 5/20 0.34
PTGER2 P43116 1/20 0.34
MPO P05164 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL6152396 0.90 NOS3 (0.43) NOS3NOS1NOS2KDM4E
SCHEMBL6155624 0.89 NOS3 (0.43) NOS3NOS1NOS2
SCHEMBL6152762 0.85 NOS3 (0.46) NOS3NOS1NOS2
SCHEMBL6152658 0.82 NOS3 (0.68) NOS3NOS1NOS2KDM4E
SCHEMBL6153073 0.80 NOS3 (0.47) NOS3NOS1NOS2PTGDR2KDM4E
SCHEMBL5833906 0.80 NOS3 (0.44) NOS3NOS1NOS2PTGDR2KDM4E
SCHEMBL6152641 0.80 NOS3 (0.38) NOS3NOS1NOS2
SCHEMBL6153072 0.75 NOS3 (0.42) NOS3NOS1NOS2PTGDR2KDM4E
SCHEMBL6152398 0.70 NOS3 (0.45) NOS3NOS1NOS2KDM4E
SCHEMBL5833973 0.70 NOS3 (0.42) NOS3NOS1NOS2KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084109-B1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PROD INC (US) 2005-01-26 EP disclosed
EP-1494680-A1 USE OF CARBON-2-MODIFIED-VITAMIN D ANALOGS TO INDUCE THE FORMATION OF NEW BONE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-01-12 EP disclosed
WO-2003082300-A1 USE OF CARBON-2-MODIFIED-VITAMIN D ANALOGS TO INDUCE THE FORMATION OF NEW BONE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2003-10-09 WO disclosed
EP-1268415-A1 26,27-HOMOLOGATED-20-EPI-2-ALKYL-19-NOR-VITAMIN D COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2003-01-02 EP disclosed
WO-2001074765-A1 26,27-HOMOLOGATED-20-EPI-2-ALKYL-19-NOR-VITAMIN D COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2001-10-11 WO disclosed
EP-1084109-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NITRIC OXIDE SYNTHASE INHIBITORS Pfizer Products Inc. (US) 2001-03-21 EP disclosed
WO-1999062883-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PRODUCTS INC. (US) 1999-12-09 WO disclosed