SCHEMBL17931968

SCHEMBL17931968

c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7c8ccccc8c8ccccc8c7c6c5)c5ccccc45)c4ccccc34)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.36
ALOX5 P09917 2/20 0.35
GSTP1 P09211 1/20 0.35
CYP1A2 P05177 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CYP1A1 P04798 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1B1 Q16678 1/20 0.34
MIF P14174 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
PRKDC P78527 1/20 0.33
ARSA P15289 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25C P30307 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.32
CLK2 P49760 1/20 0.32

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
SCHEMBL16067763 0.92 CYP1A1 (0.39) GPR84ALOX5GSTP1CYP1A2NPC1
SCHEMBL19080085 0.92 CYP1A1 (0.35) GPR84ALOX5GSTP1CYP1A1CYP1B1
SCHEMBL19080091 0.92 GPR84 (0.35) GPR84ALOX5GSTP1CYP1A2CYP1A1
SCHEMBL19080088 0.90 CYP1A1 (0.38) GPR84GSTP1CYP1A2NPC1RAB9A
SCHEMBL17931984 0.89 ALOX5 (0.37) ALOX5CYP1A2NPC1RAB9ACYP1A1
SCHEMBL16067671 0.89 ESR1 (0.37) GPR84ALOX5CYP1A2NPC1RAB9A
SCHEMBL16067805 0.89 CYP1A1 (0.39) GPR84ALOX5CYP1A2NPC1RAB9A
SCHEMBL17944112 0.89 ESR1 (0.37) GPR84ALOX5CYP1A2NPC1RAB9A
SCHEMBL23502089 0.89 CYP1A1 (0.41) GPR84ALOX5CYP1A2NPC1RAB9A
SCHEMBL20374859 0.88 GPR84 (0.39) GPR84ALOX5GSTP1CYP1A2NPC1

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
EP-3048654-A2 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2016-07-27 EP disclosed
US-20160211454-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 US disclosed
US-20160211454-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 US disclosed