SCHEMBL17932011

SCHEMBL17932011

c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)sc4cc(-c6cc7c8ccccc8oc7c7ccccc67)ccc45)c4ccccc34)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
RAB9A P51151 2/20 0.36
CYP1A2 P05177 2/20 0.36
NPC1 O15118 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GPR84 Q9NQS5 1/20 0.34
GSTP1 P09211 1/20 0.33
DYRK1A Q13627 1/20 0.33
MIF P14174 1/20 0.33
AHR P35869 1/20 0.33
PRKDC P78527 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
S1PR4 O95977 3/20 0.32
S1PR5 Q9H228 3/20 0.32
KDM4E B2RXH2 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
SCHEMBL10122494 0.90 ALOX5 (0.46) ALOX5CYP1A1CYP1B1RAB9ACYP1A2
SCHEMBL17944790 0.89 ALOX5 (0.41) ALOX5CYP1A1CYP1B1RAB9ACYP1A2
SCHEMBL10122648 0.89 ALOX5 (0.43) ALOX5CYP1A1CYP1B1RAB9ACYP1A2
SCHEMBL19076509 0.89 ALOX5 (0.43) ALOX5CYP1A1CYP1B1RAB9ACYP1A2
SCHEMBL17945204 0.89 ALOX5 (0.43) ALOX5RAB9ACYP1A2CYP2C19DYRK1A
SCHEMBL24342929 0.87 ALOX5 (0.34) ALOX5CYP1A1CYP1B1RAB9ACYP1A2
SCHEMBL10122476 0.87 ALOX5 (0.46) ALOX5CYP1A1CYP1B1RAB9ACYP1A2
SCHEMBL10122456 0.86 ALOX5 (0.42) ALOX5CYP1A1CYP1B1RAB9ACYP1A2
SCHEMBL20127381 0.86 CYP1A1 (0.44) ALOX5CYP1A1CYP1B1CYP1A2CYP2C9
SCHEMBL20416956 0.86 ALOX5 (0.40) ALOX5CYP1A1CYP1B1RAB9ACYP1A2

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