SCHEMBL6156039

SCHEMBL6156039

CCC(c1ccc(-c2cccc(CNCC(=O)c3ccccc3)c2)cc1)C(N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.47
FNTB P49356 3/20 0.47
PGGT1B P53609 2/20 0.47
PTGS2 P35354 2/20 0.45
AOC3 Q16853 2/20 0.41
TPH1 P17752 1/20 0.41
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
BCL2 P10415 1/20 0.40
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
CFD P00746 1/20 0.38
BACE1 P56817 1/20 0.38
VSIR Q9H7M9 1/20 0.38
MEP1B Q16820 1/20 0.38
ERAP2 Q6P179 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
LNPEP Q9UIQ6 1/20 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
SCHEMBL6158607 0.88 FNTA (0.47) FNTAFNTBPGGT1BPTGS2AOC3
SCHEMBL2847857 0.81 TPH1 (0.60) FNTAFNTBPGGT1BTPH1
SCHEMBL2851699 0.81 TPH1 (0.60) FNTAFNTBPGGT1BTPH1
SCHEMBL2847859 0.81 TPH1 (0.60) FNTAFNTBPGGT1BTPH1
SCHEMBL6155056 0.80 CTSK (0.45) PTGS2ACE
SCHEMBL6184063 0.78 MME (0.49) FNTAFNTBPGGT1BPTGS2TPH1
SCHEMBL6156042 0.78 ITGB3 (0.46) FNTAFNTBPGGT1BTPH1MME
SCHEMBL6156035 0.78 TPH1 (0.48) FNTAFNTBPGGT1BAOC3TPH1
SCHEMBL6158614 0.78 ITGB1 (0.47) FNTAFNTBPGGT1BTPH1MME
SCHEMBL6158603 0.77 TPH1 (0.49) FNTAFNTBPGGT1BTPH1

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