SCHEMBL31018376

SCHEMBL31018376

[2H]c1c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c34)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c([2H])c1-c1cccc2c1oc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.43
▸ GGPS1 O95749 1/20 0.38
▸ PRKDC P78527 5/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PTGES2 Q9H7Z7 1/20 0.33
▸ ATM Q13315 1/20 0.31

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
SCHEMBL31018374 0.88 CDC14B (0.31) ALOX5
SCHEMBL31018375 0.82 NPC1 (0.35) ALOX5
SCHEMBL30079370 0.82 HDAC8 (0.35) ATM
SCHEMBL12730932 0.80 ALOX5 (0.39) ALOX5GGPS1PRKDCPIK3CDPIK3CB
SCHEMBL12730933 0.79 ALOX5 (0.41) ALOX5GGPS1PRKDCPIK3CDPIK3CB
SCHEMBL30608441 0.78 ALOX5 (0.48) ALOX5GGPS1PRKDCPIK3CDPIK3CB
SCHEMBL31554780 0.74 ALOX5 (0.52) ALOX5GGPS1PRKDCPIK3CDPIK3CB
SCHEMBL23925267 0.74 ESR1 (0.30) —
SCHEMBL125788 0.72 ALOX5 (0.56) ALOX5GGPS1PRKDCPIK3CDPIK3CB
SCHEMBL30921610 0.72 — —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115380017-B Process for preparing deuterated compounds 株式会社LG化学 2024-06-18 — — CN disclosed
Send feedback