SCHEMBL2856237

SCHEMBL2856237

COC(=O)[C@H](Cc1ccc(-c2cccc(CNCC(=O)c3ccccc3)c2)cc1)NC(C)=CC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.61
HDAC1 Q13547 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
OPRK1 P41145 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL2859548 1.00 PPARG (0.61) PPARGHDAC1HDAC6OPRK1ALDH1A1
SCHEMBL2849845 0.92 PPARG (0.58) PPARG
SCHEMBL2847851 0.92 PPARG (0.58) PPARG
SCHEMBL2847849 0.92 PPARG (0.58) PPARG
SCHEMBL2849821 0.92 PPARG (0.58) PPARG
SCHEMBL2853812 0.83 TPH1 (0.49) HDAC1HDAC6OPRK1
SCHEMBL6158603 0.83 TPH1 (0.49) HDAC1HDAC6OPRK1
SCHEMBL6158635 0.83 CTSS (0.53) HDAC1HDAC6OPRK1ALDH1A1ATM
SCHEMBL2859545 0.82 PPARG (0.61) PPARGHDAC1HDAC6ALDH1A1
SCHEMBL6155344 0.79 PPARG (0.49) PPARG

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
EP-1575911-B1 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2010-01-13 EP claimed