SCHEMBL7077873

SCHEMBL7077873

CCNC(=O)NCc1ccc(Oc2cccc(S(=O)(=O)CC(CC(=O)O)c3ccccc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 9/20 0.43
FNTB P49356 9/20 0.43
CASR P41180 1/20 0.41
FFAR1 O14842 2/20 0.41
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
MTNR1B P49286 1/20 0.39
EPHX2 P34913 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MAPK14 Q16539 1/20 0.39
MMP13 P45452 2/20 0.38

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
SCHEMBL7078136 0.79 MMP2 (0.58) FNTAFNTBMTNR1B
SCHEMBL7080988 0.72 ITGB3 (0.44) CASRITGB3ITGAV
SCHEMBL7137876 0.72 CCR4 (0.44) FNTAFNTBMAPK14
SCHEMBL7078388 0.72 NAMPT (0.44) CASRITGB3ITGAV
SCHEMBL7162277 0.71 FNTA (0.46) FNTAFNTBMMP13
SCHEMBL7162281 0.71 FNTA (0.46) FNTAFNTBMMP13
SCHEMBL8909238 0.70 GABBR2 (0.56)
SCHEMBL7078041 0.70 RORC (0.47)
SCHEMBL6772429 0.69 KMT2A (0.47) FNTAFNTBFFAR1
SCHEMBL7130423 0.67 RORC (0.44) FNTAFNTBMMP13

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