SCHEMBL19885259

SCHEMBL19885259

CCOc1cc(C)c(OCC)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.48
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
LTA4H P09960 2/20 0.37
PLIN1 O60240 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
PLIN5 Q00G26 1/20 0.36
ABHD5 Q8WTS1 1/20 0.36
PLAU P00749 1/20 0.35
PLK1 P53350 1/20 0.35

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
SCHEMBL28232342 0.86 HPGD (0.44) NQO1ALDH1A1KDM4EHPGDMAPT
SCHEMBL11586155 0.82 MAPT (0.43) NQO1ALDH1A1KDM4EHPGDMAPT
SCHEMBL4570827 0.82 NQO1 (0.50) NQO1ALDH1A1KDM4EHPGDMAPT
SCHEMBL25523180 0.79 NCOA1 (0.44) NQO1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL9804714 0.78 ALDH1A1 (0.49) NQO1ALDH1A1KDM4EHPGDMAPT
SCHEMBL941531 0.78 KMT2A (0.45) NQO1ALDH1A1KDM4EHPGDMAPT
SCHEMBL12299458 0.78 SCN4A (0.53) ALDH1A1KDM4EHPGDMAPTGLA
SCHEMBL22780338 0.78 ALDH1A1 (0.53) NQO1ALDH1A1KDM4EHPGDMAPT
SCHEMBL6977821 0.78 TSHR (0.43) ALDH1A1KDM4EHPGDMAPTGLA
SCHEMBL12126699 0.78 MCL1 (0.53) NQO1ALDH1A1HPGDGAAHSD17B10

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-20180051116-A1 PROCESS FOR PRODUCING MODIFIED THERMOSETTING POLYPHENYLENE ETHER RESIN NAN YA PLASTICS CORPORATION (TW) 2018-02-22 US disclosed