SCHEMBL6270720

SCHEMBL6270720

CCOC(Cc1ccc(-c2ccccc2)cc1CN(C)C(=O)CCCC(C)=O)C(=O)N1CCC(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
HRH3 Q9Y5N1 4/20 0.34
GAA P10253 1/20 0.34
P2RY12 Q9H244 4/20 0.34
CCR10 P46092 1/20 0.33
HDAC1 Q13547 2/20 0.33
MCHR1 Q99705 1/20 0.33
AOC3 Q16853 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL6268521 0.93 P2RY12 (0.37) HPGDHRH3GAAP2RY12CCR10
SCHEMBL3946841 0.86 AOC3 (0.40) HPGDAOC3
SCHEMBL6269247 0.81 ALDH1A1 (0.41) HRH3GAA
SCHEMBL3948304 0.79 AOC3 (0.41) AOC3
SCHEMBL3953803 0.78 AOC3 (0.40) AOC3
SCHEMBL3945115 0.77 AOC3 (0.40) GAAAOC3
SCHEMBL6268525 0.76 MMP3 (0.38) HPGDGAAP2RY12CCR10
SCHEMBL3947613 0.72 AOC3 (0.38) AOC3
SCHEMBL3952829 0.69 ALDH1A1 (0.46) HRH3AOC3
SCHEMBL3952251 0.68 AOC3 (0.40) AOC3

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-1567509-A2 BIPHENYL COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-08-31 EP claimed
WO-2004048351-A2 BIPHENYL COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-10 WO claimed