SCHEMBL16865673

SCHEMBL16865673

CCOc1ccc(C(C)(C)c2cc(C)c(C)c(C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.50
TSHR P16473 3/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HIF1A Q16665 2/20 0.47
CYP1A2 P05177 1/20 0.47
PPARG P37231 1/20 0.47
HTT P42858 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
PLK1 P53350 1/20 0.42
AR P10275 1/20 0.42

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
SCHEMBL13209791 0.89 NQO1 (0.58) NQO1TSHRMAPTTP53HPGD
SCHEMBL3035998 0.87 NQO1 (0.67) NQO1TSHRMAPTTP53HPGD
SCHEMBL13703249 0.83 NQO1 (0.56) NQO1TSHRMAPTTP53HPGD
SCHEMBL16865668 0.83 MAPT (0.38) TSHRMAPTTP53HPGDALDH1A1
SCHEMBL8962018 0.79 NQO1 (0.56) NQO1TSHRMAPTTP53HPGD
SCHEMBL12128744 0.79 SMN1; SMN2 (0.64) NQO1ALDH1A1MEN1KMT2AHTT
SCHEMBL25956024 0.79 NQO1 (0.56) NQO1TSHRMAPTTP53HPGD
SCHEMBL12050061 0.78 LTA4H (0.66) NQO1TSHRMAPTTP53HPGD
SCHEMBL13485133 0.78 NQO1 (0.54) NQO1TSHRMAPTTP53HPGD
SCHEMBL15384650 0.78 NQO1 (0.54) NQO1TSHRMAPTTP53HPGD

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
US-20150183929-A1 BISPHENOL POLYETHER OLIGOMERS, METHODS OF MANUFACTURE, AND POLYCARBONATES MADE THEREFROM SABIC INNOVATIVE PLASTICS IP B.V (NL) 2015-07-02 US disclosed