SCHEMBL12380228

SCHEMBL12380228

c1cc2ccc3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cn4)c4ccc(c1)c2c34

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.47
▸ GGPS1 O95749 1/20 0.36
▸ PRKDC P78527 2/20 0.36
▸ GRM4 Q14833 4/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ADK P55263 1/20 0.33
▸ CDC14B O60729 2/20 0.33
▸ CDC14A Q9UNH5 2/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ACHE P22303 1/20 0.33

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
SCHEMBL12380223 0.93 ALOX5 (0.45) ALOX5GGPS1PRKDCGRM4PIK3CD
SCHEMBL9920862 0.88 ALOX5 (0.41) ALOX5GGPS1PRKDCPIK3CDPIK3CB
SCHEMBL17212588 0.87 ALOX5 (0.49) ALOX5GGPS1PRKDCGRM4PIK3CD
SCHEMBL10084789 0.85 ALOX5 (0.52) ALOX5GGPS1PRKDCPIK3CDPIK3CB
SCHEMBL12380148 0.85 ALOX5 (0.45) ALOX5GGPS1PRKDCPIK3CDPIK3CB
SCHEMBL15581798 0.84 ALOX5 (0.43) ALOX5GGPS1PRKDCPIK3CDPIK3CB
SCHEMBL12380216 0.84 ALOX5 (0.51) ALOX5GGPS1PRKDCPIK3CDPIK3CB
SCHEMBL17212571 0.84 ALOX5 (0.54) ALOX5GGPS1PRKDCPIK3CDPIK3CB
SCHEMBL16303037 0.83 ALOX5 (0.45) ALOX5GGPS1PRKDCPIK3CDPIK3CB
SCHEMBL17680299 0.82 CYP11B1 (0.41) KDM4EALDH1A1HPGDHSD17B10ERBB2

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-7989802-B2 Light emitting device material and light emitting device TORAY INDUSTRIES, INC. (JP) 2011-08-02 — — US disclosed
US-7989802-B2 Light emitting device material and light emitting device TORAY INDUSTRIES, INC. (JP) 2011-08-02 — — US disclosed
US-20100038634-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2010-02-18 — — US disclosed
US-20100038634-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2010-02-18 — — US disclosed
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