SCHEMBL5327159

SCHEMBL5327159

CC(c1ccc(OC(C)(C)C(=O)O)cc1)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TRPV1 Q8NER1 4/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
PTGS1 P23219 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
ACKR3 P25106 1/20 0.47
PPARA Q07869 3/20 0.46
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
KCNK3 O14649 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KCNK9 Q9NPC2 2/20 0.45
SLC1A3 P43003 1/20 0.44

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
SCHEMBL5327749 0.82 PPARA (0.45) TRPV1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5327164 0.81 PPARA (0.54) NPC1RAB9ATRPV1MEN1MAPT
SCHEMBL5328303 0.78 NPC1 (0.51) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL5327149 0.74 PPARA (0.48) MEN1MAPTKMT2ALMNAPPARA
SCHEMBL3371243 0.73 PPARA (0.64) MEN1MAPTKMT2APPARAPPARG
SCHEMBL5324710 0.73 PPARA (0.47) MEN1MAPTKMT2ALMNAPPARA
SCHEMBL11558127 0.73 PPARA (0.55) MEN1MAPTKMT2APPARAPPARG
SCHEMBL11551303 0.72 PPARA (0.68) TRPV1MEN1MAPTKMT2APPARA
SCHEMBL7519747 0.72 MAPT (0.82) NPC1RAB9ATRPV1MEN1MAPT
SCHEMBL17270209 0.72 ACKR3 (0.73) NPC1RAB9AMEN1MAPTKMT2A

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