SCHEMBL5328307

SCHEMBL5328307

COc1ccc(C(=O)Nc2cccc(CCc3ccc(OC(C)(C)C(=O)O)cc3)c2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 2/20 0.50
AURKA O14965 1/20 0.48
RPS6KB1 P23443 1/20 0.48
AURKB Q96GD4 1/20 0.48
NR1H4 Q96RI1 2/20 0.48
PPARA Q07869 5/20 0.47
PPARG P37231 3/20 0.47
PPARD Q03181 3/20 0.47
RXFP1 Q9HBX9 1/20 0.46
MET P08581 1/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL14345534 0.85 MEN1 (0.58) MEN1KMT2AALDH1A1PPARASMN1; SMN2
SCHEMBL14345525 0.83 PPARA (0.56) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL14345085 0.82 PPARA (0.49) NPC1RAB9AAURKARPS6KB1AURKB
SCHEMBL14345274 0.82 TP53 (0.53) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL14345590 0.82 PPARA (0.53) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL14345475 0.82 PPARA (0.52) MEN1KMT2ANPC1RAB9APPARA
SCHEMBL5328303 0.82 NPC1 (0.51) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL14345585 0.80 PPARA (0.60) PPARAPPARGPPARD
SCHEMBL14345084 0.78 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL14345202 0.78 USP2 (0.56) KMT2ARAB9AALDH1A1PPARAPPARG

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