SCHEMBL21881095

SCHEMBL21881095

c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6c5oc5ccccc56)c5ccccc45)c4ccccc34)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.53
PRKDC P78527 6/20 0.42
GGPS1 O95749 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
GSTP1 P09211 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
MIF P14174 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
ATM Q13315 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
SCHEMBL126884 0.93 ALOX5 (0.55) ALOX5PRKDCGGPS1HDAC8HDAC4
SCHEMBL24090245 0.92 ALOX5 (0.46) ALOX5PRKDCGGPS1HDAC8HDAC4
SCHEMBL126383 0.92 ALOX5 (0.52) ALOX5PRKDCGGPS1HDAC8HDAC4
SCHEMBL24285542 0.91 ALOX5 (0.49) ALOX5PRKDCGGPS1HDAC8HDAC4
SCHEMBL24285603 0.91 ALOX5 (0.49) ALOX5PRKDCGGPS1HDAC8HDAC4
SCHEMBL27301742 0.91 ALOX5 (0.52) ALOX5PRKDCGGPS1HDAC8HDAC4
SCHEMBL24211244 0.90 ALOX5 (0.44) ALOX5PRKDCGGPS1GPR84PTGES2
SCHEMBL26750778 0.90 ALOX5 (0.57) ALOX5PRKDCGGPS1HDAC8HDAC4
SCHEMBL29306839 0.90 ALOX5 (0.51) ALOX5PRKDCGGPS1HDAC8GPR84
SCHEMBL26949564 0.89 ALOX5 (0.46) ALOX5PRKDCGGPS1HDAC8HDAC4

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
US-11864460-B2 Organic light emitting device LG CHEM, LTD. (KR) 2024-01-02 US disclosed
US-11864460-B2 Organic light emitting device LG CHEM, LTD. (KR) 2024-01-02 US disclosed
US-20210399223-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2021-12-23 US disclosed
WO-2020060280-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2020-03-26 WO disclosed