SCHEMBL6567729

SCHEMBL6567729

CC(C)(C)CC(C)(C)c1cc(-n2nc3ccccc3n2)cc(C(C)(C)c2ccccc2O)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
SHBG P04278 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 2/20 0.32
HIF1A Q16665 2/20 0.32
IDH1 O75874 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL29351747 0.85 PPARG (0.41) PPARGPPARANPC1RAB9ALMNA
SCHEMBL3680277 0.85 PPARG (0.41) PPARGPPARANPC1RAB9ALMNA
SCHEMBL11246792 0.84 CNR1 (0.40)
SCHEMBL22271031 0.84 KDM4E (0.41) PPARGPPARANPC1RAB9ALMNA
SCHEMBL10359109 0.83 NPC1 (0.43) PPARGPPARANPC1RAB9ALMNA
SCHEMBL7655378 0.82 SHBG (0.42) PPARGPPARANPC1RAB9ALMNA
SCHEMBL27622566 0.81 NPC1 (0.35) PPARGPPARANPC1RAB9ALMNA
SCHEMBL4398146 0.78 KDM4E (0.36) PPARGPPARANPC1RAB9ALMNA
SCHEMBL3120584 0.77 KDM4E (0.39) PPARGPPARANPC1RAB9ALMNA
SCHEMBL7900910 0.77 NPC1 (0.42) PPARGPPARANPC1RAB9ALMNA

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
EP-1401941-A1 STABILISED METALLOCENE POLYOLEFINS BASF AKTIENGESELLSCHAFT (DE) 2004-03-31 EP disclosed
WO-2002092684-A1 STABILISED METALLOCENE POLYOLEFINS BASF AKTIENGESELLSCHAFT (DE) 2002-11-21 WO disclosed