SCHEMBL26584409

SCHEMBL26584409

c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.40
▸ PRKDC P78527 1/20 0.38
▸ HCRTR1 O43613 1/20 0.35
▸ GGPS1 O95749 1/20 0.34
▸ MMP12 P39900 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ PTGES2 Q9H7Z7 1/20 0.32
▸ CDC14B O60729 1/20 0.30
▸ CDC14A Q9UNH5 1/20 0.30
▸ HSD17B1 P14061 1/20 0.30
▸ HSD17B2 P37059 1/20 0.30

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
SCHEMBL26585272 0.96 ALOX5 (0.41) ALOX5PRKDCHCRTR1GGPS1MMP12
SCHEMBL26585364 0.95 ALOX5 (0.42) ALOX5PRKDCHCRTR1GGPS1MMP12
SCHEMBL26584463 0.94 ALOX5 (0.39) ALOX5PRKDCHCRTR1GGPS1MMP12
SCHEMBL26585408 0.94 ALOX5 (0.41) ALOX5PRKDCGGPS1PTGES2CDC14B
SCHEMBL26584408 0.94 HCRTR1 (0.37) ALOX5PRKDCHCRTR1MMP12MMP13
SCHEMBL26569575 0.94 HCRTR1 (0.37) ALOX5PRKDCHCRTR1MMP12MMP13
SCHEMBL26584783 0.94 ALOX5 (0.46) ALOX5PRKDCGGPS1PTGES2CDC14B
SCHEMBL26569736 0.94 HCRTR1 (0.38) ALOX5PRKDCHCRTR1MMP12MMP13
SCHEMBL26584407 0.93 HCRTR1 (0.36) ALOX5HCRTR1MMP12MMP13HSD17B1
SCHEMBL26584419 0.93 HCRTR1 (0.39) ALOX5PRKDCHCRTR1MMP12MMP13

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
WO-2023182323-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-09-28 — — WO disclosed
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