SCHEMBL17944166

SCHEMBL17944166

c1ccc2c(-c3c4ccccc4c(-c4ccc5cc(-c6c7oc8ccccc8c7cc7c6oc6ccccc67)ccc5c4)c4ccccc34)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
AHR P35869 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
RAB9A P51151 2/20 0.35
ATM Q13315 1/20 0.35
PIM1 P11309 2/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
PRKDC P78527 1/20 0.34
NPC1 O15118 1/20 0.34
CYP2C9 P11712 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL19081671 0.94 ALOX5 (0.41) ALOX5CYP1A1CYP1B1ALDH1A1HSD17B10
SCHEMBL10122353 0.93 ALOX5 (0.46) ALOX5AHRALDH1A1HSD17B10KDM4E
SCHEMBL17931977 0.92 ALOX5 (0.41) ALOX5CYP1A1CYP1B1AHRALDH1A1
SCHEMBL10122365 0.92 ALOX5 (0.42) ALOX5AHRALDH1A1HSD17B10KDM4E
SCHEMBL10122622 0.91 ALOX5 (0.44) ALOX5AHRALDH1A1HSD17B10KDM4E
SCHEMBL24398342 0.91 ALOX5 (0.38) ALOX5CYP1A1CYP1B1ALDH1A1CYP1A2
SCHEMBL19081541 0.90 ALOX5 (0.41) ALOX5AHRALDH1A1HSD17B10KDM4E
SCHEMBL17944093 0.90 ALOX5 (0.47) ALOX5CYP1A1CYP1B1AHRALDH1A1
SCHEMBL10122379 0.89 ALOX5 (0.39) ALOX5CYP1A1CYP1B1AHRALDH1A1
SCHEMBL17945648 0.89 ALOX5 (0.39) ALOX5CYP1A1CYP1B1AHRALDH1A1

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
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed