SCHEMBL5327150

SCHEMBL5327150

CC(C)(Oc1ccc(CCc2cccc(O)c2)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.62
PPARG P37231 15/20 0.57
PPARD Q03181 3/20 0.52
GABRA1 P14867 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
GABRB2 P47870 1/20 0.51
F2 P00734 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL5324713 0.85 PPARA (0.61) PPARAPPARGPPARD
SCHEMBL3845579 0.80 PPARG (0.56) PPARAPPARGPPARDPOLB
SCHEMBL14345585 0.80 PPARA (0.60) PPARAPPARGPPARD
SCHEMBL14345084 0.78 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL14345202 0.78 USP2 (0.56) PPARAPPARG
SCHEMBL11566625 0.77 PPARG (0.70) PPARAPPARGPPARD
SCHEMBL3845467 0.77 PPARA (1.00) PPARAPPARGPPARD
SCHEMBL3848024 0.77 ADRB3 (0.73) PPARAPPARGPPARD
SCHEMBL27674993 0.77 PPARG (0.68) PPARAPPARGPPARD
SCHEMBL10183475 0.77 CYP3A4 (0.60) GABRA1GABRG2GABRB3GABRA3GABRA2

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
WO-2007141423-A1 PPAR ENHANCING DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF NEGMA-LERADS (FR) 2007-12-13 WO disclosed