SCHEMBL6156042

SCHEMBL6156042

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.46
ITGAV P06756 3/20 0.46
ITGB1 P05556 2/20 0.46
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
MME P08473 9/20 0.43
ACE P12821 8/20 0.43
ACE2 Q9BYF1 8/20 0.43
CPA1 P15085 7/20 0.43
TPH1 P17752 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43
MEP1B Q16820 2/20 0.42
ITGA2B P08514 1/20 0.42
ITGA5 P08648 1/20 0.42
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB2 P49721 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL6158614 0.89 ITGB1 (0.47) ITGB3ITGAVITGB1ITGA4ITGB7
SCHEMBL6184063 0.86 MME (0.49) ITGB1ITGA4ITGB7MMEACE
SCHEMBL2851699 0.84 TPH1 (0.60) TPH1FNTAFNTBPGGT1B
SCHEMBL2847859 0.84 TPH1 (0.60) TPH1FNTAFNTBPGGT1B
SCHEMBL2847857 0.84 TPH1 (0.60) TPH1FNTAFNTBPGGT1B
SCHEMBL2847849 0.82 PPARG (0.58) ITGB1ITGA4ITGB7MMEACE
SCHEMBL2849845 0.82 PPARG (0.58) ITGB1ITGA4ITGB7MMEACE
SCHEMBL2853135 0.82 ACE (0.56) ITGB3ITGAVITGB1ITGA4ITGB7
SCHEMBL2853142 0.82 ACE (0.56) ITGB3ITGAVITGB1ITGA4ITGB7
SCHEMBL2849821 0.82 PPARG (0.58) ITGB1ITGA4ITGB7MMEACE

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