SCHEMBL5327749

SCHEMBL5327749

CC(c1ccc(OC(C)(C)C(=O)O)cc1)c1cccc(OC(=O)Nc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
PPARD Q03181 3/20 0.45
PPARG P37231 2/20 0.45
PTGS2 P35354 1/20 0.41
CNR1 P21554 1/20 0.41
TRPV1 Q8NER1 2/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5327159 0.82 NPC1 (0.49) PPARAMEN1LMNAKMT2AGAA
SCHEMBL5327752 0.82 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6558040 0.76 ALDH1A1 (0.63) PPARAALDH1A1MEN1LMNAKMT2A
SCHEMBL5327149 0.73 PPARA (0.48) PPARAALDH1A1MEN1LMNAKMT2A
SCHEMBL27948244 0.72 ALDH1A1 (0.67) ALDH1A1MEN1LMNAKMT2ATP53
SCHEMBL3371243 0.72 PPARA (0.64) PPARAALDH1A1MEN1KMT2APPARD
SCHEMBL5324710 0.72 PPARA (0.47) PPARAALDH1A1MEN1LMNAKMT2A
SCHEMBL11558127 0.71 PPARA (0.55) PPARAMEN1KMT2APPARDPPARG
SCHEMBL6558005 0.69 PPARA (0.69) PPARAALDH1A1MEN1LMNAKMT2A
SCHEMBL5359559 0.69 PTPN1 (0.51) PPARAMEN1LMNAKMT2APPARD

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