SCHEMBL9965264

SCHEMBL9965264

Cc1cc(O)cc(C)c1-c1c2ccccc2cc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.50
ALOX5 P09917 1/20 0.47
CYP1A2 P05177 4/20 0.45
CYP2A6 P11509 3/20 0.45
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
MPI P34949 1/20 0.44
TRPM4 Q8TD43 1/20 0.42
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
HCRTR1 O43613 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL20212383 0.83 CYP1A2 (0.65) ALOX5CYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL1161730 0.81 CYP1A2 (0.61) NQO2CYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL9965252 0.78 TLR8 (0.49) NQO2CYP2A6ALDH1A1MEN1KMT2A
SCHEMBL149754 0.78 ALDH1A1 (0.55) NQO2ALOX5CYP1A2CYP2A6ALDH1A1
SCHEMBL17121869 0.77 CYP1A2 (0.42) ALOX5CYP1A2CYP2A6ALDH1A1HPGD
SCHEMBL9965263 0.77 MAPT (0.48) ALOX5CYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL31277250 0.75 LMNA (0.52) NQO2ALOX5CYP1A2CYP2A6ALDH1A1
SCHEMBL3262903 0.75 LMNA (0.52) NQO2ALOX5CYP1A2CYP2A6ALDH1A1
SCHEMBL15485758 0.75 NQO1 (0.50) NQO2ALOX5CYP1A2CYP2A6ALDH1A1
SCHEMBL28383579 0.75 ALDH1A1 (0.52) NQO2ALOX5CYP1A2CYP2A6ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130240869-A1 ANTHRACENE DERIVATIVE COMPOUNDS FOR ELECTRONIC APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY 2013-09-19 US disclosed
US-20130240869-A1 ANTHRACENE DERIVATIVE COMPOUNDS FOR ELECTRONIC APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY 2013-09-19 US disclosed
WO-2012083300-A1 ANTHRACENE DERIVATIVE COMPOUNDS FOR ELECTRONIC APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-21 WO disclosed