SCHEMBL28086807

SCHEMBL28086807

c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2c1.c1ccc2cc(-c3ccc4cc5ccccc5cc4c3-c3ccc4ccccc4c3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.47
ALOX5 P09917 2/20 0.46
GPR84 Q9NQS5 1/20 0.46
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HIF1A Q16665 2/20 0.41
CYP1B1 Q16678 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
TSHR P16473 1/20 0.38
SOS1 Q07889 1/20 0.38
DHFR P00374 1/20 0.38
AKR1C3 P42330 1/20 0.38

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
SCHEMBL57186 0.95 GSTP1 (0.52) GSTP1ALOX5GPR84HDAC4HDAC2
SCHEMBL28358113 0.88 CYP1A1 (0.45) GSTP1ALOX5GPR84HDAC4HDAC2
SCHEMBL3235356 0.86 GSTP1 (0.47) GSTP1ALOX5GPR84HDAC4HDAC2
SCHEMBL196008 0.85 GSTP1 (0.53) GSTP1ALOX5GPR84HDAC4HDAC2
Phenanthrene SCHEMBL25209335 0.84 GSTP1 (0.52) GSTP1ALOX5GPR84HDAC4HDAC2
SCHEMBL4584155 0.83 GSTP1 (0.50) GSTP1ALOX5GPR84HDAC4HDAC2
SCHEMBL29349888 0.83 ALOX5 (0.62) GSTP1ALOX5GPR84HDAC4HDAC2
SCHEMBL170247 0.83 ALOX5 (0.62) GSTP1ALOX5GPR84HDAC4HDAC2
SCHEMBL3867431 0.83 ESR1 (0.48) GSTP1ALOX5GPR84HDAC4HDAC2
SCHEMBL36279 0.83 ESR1 (0.52) GSTP1ALOX5GPR84HDAC4HDAC2

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
CN-105742515-A Light-Emitting Element, Light-Emitting Device, Lighting Device, and Electronic Appliance 株式会社半导体能源研究所 2016-07-06 CN disclosed