SCHEMBL3978849

SCHEMBL3978849

c1ccc2cc(-c3ccc4cc5cc6ccccc6c(-c6ccc7ccccc7c6)c5c(-c5ccc6ccccc6c5)c4c3-c3ccc4ccccc4c3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.46
NQO2 P16083 2/20 0.44
GSTP1 P09211 1/20 0.43
ALOX5 P09917 2/20 0.42
CES1 P23141 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CYP1A2 P05177 4/20 0.39
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
NQO1 P15559 1/20 0.37
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
TSHR P16473 1/20 0.36
SOS1 Q07889 1/20 0.36

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
SCHEMBL3981647 0.84 NQO2 (0.46) GPR84NQO2ALOX5CES1CYP1A2
SCHEMBL3043009 0.84 CES1 (0.54) GPR84NQO2GSTP1ALOX5CES1
SCHEMBL29775928 0.84 CES1 (0.54) GPR84NQO2GSTP1ALOX5CES1
SCHEMBL196008 0.81 GSTP1 (0.53) GPR84GSTP1ALOX5HDAC4HDAC2
SCHEMBL7163924 0.81 NQO2 (0.44) GPR84NQO2ALOX5CES1CYP1A2
Phenanthrene SCHEMBL25209335 0.80 GSTP1 (0.52) GPR84GSTP1ALOX5HDAC4HDAC2
SCHEMBL57186 0.80 GSTP1 (0.52) GPR84GSTP1ALOX5HDAC4HDAC2
SCHEMBL22134175 0.79 NQO2 (0.45) GPR84NQO2GSTP1ALOX5CES1
SCHEMBL29349888 0.79 ALOX5 (0.62) GPR84NQO2GSTP1ALOX5HDAC4
SCHEMBL170247 0.79 ALOX5 (0.62) GPR84NQO2GSTP1ALOX5HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435669-B1 Efficient electroluminescent device EASTMAN KODAK CO (US) 2009-05-13 EP disclosed
US-20050271899-A1 Efficient electroluminescent device EASTMAN KODAK COMPANY 2005-12-08 US disclosed
EP-1435669-A2 Efficient electroluminescent device EASTMAN KODAK COMPANY (US) 2004-07-07 EP disclosed
US-20040126617-A1 Efficient electroluminescent device EASTMAN KODAK COMPANY 2004-07-01 US disclosed