SCHEMBL6158614

SCHEMBL6158614

CNC(Cc1ccc(-c2cccc(CNCC(=O)c3ccccc3)c2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.47
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
TPH1 P17752 1/20 0.45
MME P08473 9/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
PGGT1B P53609 1/20 0.44
ACE2 Q9BYF1 8/20 0.44
ACE P12821 7/20 0.44
CPA1 P15085 6/20 0.44
ITGB3 P05106 2/20 0.43
ITGAV P06756 2/20 0.43
ITGA2B P08514 1/20 0.43
ITGA5 P08648 1/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42

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
SCHEMBL6156042 0.89 ITGB3 (0.46) ITGB1ITGA4ITGB7TPH1MME
SCHEMBL6184063 0.88 MME (0.49) ITGB1ITGA4ITGB7TPH1MME
SCHEMBL2851699 0.85 TPH1 (0.60) TPH1FNTAFNTBPGGT1B
SCHEMBL2847859 0.85 TPH1 (0.60) TPH1FNTAFNTBPGGT1B
SCHEMBL2847857 0.85 TPH1 (0.60) TPH1FNTAFNTBPGGT1B
SCHEMBL2849808 0.85 PPARG (0.58)
SCHEMBL2847847 0.85 PPARG (0.58)
SCHEMBL2849799 0.85 PPARG (0.58)
SCHEMBL2853142 0.84 ACE (0.56) ITGB1ITGA4ITGB7MMEACE2
SCHEMBL2849845 0.84 PPARG (0.58) ITGB1ITGA4ITGB7MMEACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575911-A2 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-09-21 EP disclosed
WO-2004046091-A2 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-03 WO disclosed