SCHEMBL30730459

SCHEMBL30730459

CC(C)c1c(O)cc(-c2cc3ccccc3o2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.55
▸ MAOB P27338 3/20 0.47
▸ CALCRL Q16602 1/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ ERN1 O75460 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NPY1R P25929 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ FTO Q9C0B1 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42

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
SCHEMBL29149155 1.00 ALOX5 (0.55) ALOX5MAOBCALCRLABCB1ERN1
SCHEMBL30730417 0.90 ALOX5 (0.62) ALOX5MAOBCALCRLABCB1ERN1
SCHEMBL29149149 0.90 ALOX5 (0.62) ALOX5MAOBCALCRLABCB1ERN1
SCHEMBL30730461 0.83 ALOX5 (0.54) ALOX5MAOBCALCRLABCB1ERN1
SCHEMBL29149157 0.83 ALOX5 (0.54) ALOX5MAOBCALCRLABCB1ERN1
SCHEMBL29149080 0.82 ERN1 (0.52) ALOX5MAOBCALCRLABCB1ERN1
SCHEMBL30730545 0.82 ERN1 (0.52) ALOX5MAOBCALCRLABCB1ERN1
Trifluoromethanesulfonic Acid SCHEMBL29149132 0.81 ALOX5 (0.49) ALOX5MAOBCALCRLABCB1ERN1
SCHEMBL29149108 0.78 MAOB (0.41) ALOX5MAOBCALCRLABCB1NPC1
SCHEMBL30730524 0.78 MAOB (0.41) ALOX5MAOBCALCRLABCB1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122029153-A Aromatic hydrocarbon receptor modulator compound, and preparation method and application thereof 德明药泰生物技术(深圳)有限公司 2026-05-12 — — CN disclosed
CN-117447402-A Aromatic hydrocarbon receptor modulator compound, and preparation method and application thereof 德明药泰生物技术(深圳)有限公司 2024-01-26 — — CN disclosed
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