SCHEMBL7078136

SCHEMBL7078136

CCNC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)CC(CC(=O)O)c3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.58
MMP8 P22894 1/20 0.58
FNTA P49354 15/20 0.53
FNTB P49356 15/20 0.53
MTNR1B P49286 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
DHODH Q02127 1/20 0.46

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
SCHEMBL7078041 0.91 RORC (0.47) MMP2MMP8DHODH
SCHEMBL7130423 0.88 RORC (0.44) MMP2MMP8FNTAFNTBDHODH
SCHEMBL8360105 0.87 RORC (0.43) MMP2MMP8FNTAFNTBCA12
SCHEMBL7077549 0.82 DHODH (0.44) MMP2MMP8CA12CA1CA2
SCHEMBL7078388 0.82 NAMPT (0.44) CA12CA1CA2CA9
SCHEMBL7080988 0.81 ITGB3 (0.44) CA12CA1CA2CA9
SCHEMBL7078046 0.80 DHODH (0.42) MMP2MMP8CA12CA1CA2
SCHEMBL7077873 0.79 FNTA (0.43) FNTAFNTBMTNR1B
SCHEMBL7189858 0.78 FNTA (0.50) FNTAFNTB
SCHEMBL7073837 0.77 FNTA (0.52) MMP2MMP8FNTAFNTBCA12

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
WO-2003059872-A1 AVB3 AND AVB5 INTEGRIN ANTAGONISTS AND METHODS OF TREATING DISEASES OR CONDITIONS ASSOCIATED WITH AVB3 AND AVB5 INTEGRINS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-24 WO disclosed