SCHEMBL14345282

SCHEMBL14345282

COc1ccc(NC(=O)Oc2cccc(CCc3ccc(OC(C)(C)C(=O)O)cc3)c2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
PPARA Q07869 9/20 0.46
PPARG P37231 5/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PPARD Q03181 3/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45

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) KMT2AMEN1PPARAGAAMAPT
SCHEMBL8926644 0.79 KMT2A (0.64) KMT2AMEN1PPARAPPARGHPGD
SCHEMBL5328307 0.78 POLB (0.52) KMT2AMEN1PPARAPPARGNPC1
SCHEMBL5327752 0.78 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL5342673 0.76 NPC1 (0.65) KMT2AMEN1HPGDGAANPC1
SCHEMBL6359190 0.75 PPARA (0.61) KMT2AMEN1PPARAPPARGGAA
SCHEMBL8925777 0.74 PPARA (0.62) KMT2AMEN1PPARAPPARGGAA
SCHEMBL8768931 0.74 PPARA (0.52) PPARAPPARGGAANPC1RAB9A
SCHEMBL14345525 0.74 PPARA (0.56) KMT2AMEN1PPARAPPARGGAA
SCHEMBL14345590 0.73 PPARA (0.53) KMT2AMEN1PPARAPPARGGAA

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