SCHEMBL21131631

SCHEMBL21131631

c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3cc(-c4ccc5c(-c6cccc7oc8ccccc8c67)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)ccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.41
▸ PRKDC P78527 3/20 0.34
▸ GGPS1 O95749 1/20 0.34
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ PLA2G2A P14555 2/20 0.33
▸ PLA2G4A P47712 2/20 0.33
▸ PLA2G10 O15496 1/20 0.33
▸ PTGES2 Q9H7Z7 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.32
▸ HSD17B1 P14061 2/20 0.32
▸ HSD17B2 P37059 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2B6 P20813 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL23683056 0.97 ALOX5 (0.43) ALOX5PRKDCGGPS1CYP1A1CYP1B1
SCHEMBL21924004 0.94 ALOX5 (0.41) ALOX5PRKDCGGPS1CYP1A1CYP1B1
SCHEMBL21132101 0.94 ALOX5 (0.41) ALOX5PRKDCGGPS1CYP1A1CYP1B1
SCHEMBL26442759 0.94 ALOX5 (0.41) ALOX5PRKDCGGPS1CYP1A1CYP1B1
SCHEMBL22987029 0.92 ALOX5 (0.40) ALOX5PRKDCGGPS1CYP1A1CYP1B1
SCHEMBL23682931 0.91 ALOX5 (0.45) ALOX5PRKDCGGPS1CYP1A1CYP1B1
SCHEMBL21924002 0.91 ALOX5 (0.44) ALOX5PRKDCGGPS1PLA2G2APLA2G4A
SCHEMBL24173706 0.91 PLA2G2A (0.38) CYP1A1CYP1B1PLA2G2APLA2G4APLA2G10
SCHEMBL26491536 0.91 PLA2G2A (0.38) CYP1A1CYP1B1PLA2G2APLA2G4APLA2G10
SCHEMBL26949751 0.90 ALOX5 (0.41) ALOX5PRKDCGGPS1CYP1A1CYP1B1

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
US-11211563-B2 Organic light emitting device LG CHEM, LTD. (KR) 2021-12-28 — — US disclosed
US-20210050528-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-02-18 — — US disclosed
US-20190198766-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2019-06-27 — — US disclosed
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