SCHEMBL17945083

SCHEMBL17945083

c1cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc(-c2cc3oc4ccccc4c3c3c2oc2ccccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.39
ALOX5 P09917 1/20 0.39
GSTP1 P09211 1/20 0.36
PRKDC P78527 1/20 0.35
CYP1A1 P04798 3/20 0.35
CYP1B1 Q16678 2/20 0.35
CYP1A2 P05177 3/20 0.35
NPC1 O15118 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
PLA2G2A P14555 2/20 0.34
PLA2G4A P47712 2/20 0.34
MIF P14174 1/20 0.34
PLA2G10 O15496 1/20 0.34
CDC14B O60729 1/20 0.34
CDC14A Q9UNH5 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL17932178 0.96 GPR84 (0.41) GPR84ALOX5GSTP1PRKDCCYP1A1
SCHEMBL24614718 0.94 GPR84 (0.39) GPR84ALOX5GSTP1PRKDCCYP1A1
SCHEMBL17945130 0.94 PLA2G2A (0.36) GPR84ALOX5PRKDCCYP1A1CYP1B1
SCHEMBL17945157 0.94 CA1 (0.38) GPR84ALOX5CYP1A1CYP1B1CYP1A2
SCHEMBL19081600 0.93 CYP1A1 (0.43) GPR84ALOX5PRKDCCYP1A1CYP1B1
SCHEMBL17945637 0.92 GPR84 (0.38) GPR84ALOX5GSTP1CYP1A1CYP1B1
SCHEMBL17945567 0.91 GPR84 (0.39) GPR84ALOX5GSTP1PRKDCCYP1A1
SCHEMBL17945378 0.90 ALOX5 (0.40) GPR84ALOX5PRKDCCYP1A1CYP1B1
SCHEMBL10130461 0.90 GPR84 (0.44) GPR84ALOX5GSTP1PRKDCCYP1A1
SCHEMBL17932141 0.90 ALOX5 (0.39) GPR84ALOX5GSTP1PRKDCCYP1A1

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