SCHEMBL27417240

SCHEMBL27417240

CCCCCCCCc1c(O)cc(C)c(C=O)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.46
▸ NPC1 O15118 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALOX5 P09917 5/20 0.42
▸ KAT8 Q9H7Z6 2/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GPR84 Q9NQS5 4/20 0.40

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
SCHEMBL23686901 0.89 CYP19A1 (0.45) CYP19A1NPC1HPGDMAPK1HTT
SCHEMBL27417237 0.84 ALOX5 (0.51) CYP19A1ALOX5USP2CYP3A4
SCHEMBL3431006 0.75 ALOX5 (0.44) CYP19A1HTTALOX5KAT8PPARA
Flavoglaucin SCHEMBL30431735 0.75 OPRM1 (0.63) CYP19A1PPARA
SCHEMBL30640325 0.74 CYP19A1 (0.53) CYP19A1NPC1HPGDMAPK1HTT
SCHEMBL2459346 0.74 CYP19A1 (0.40) CYP19A1NPC1HPGDMAPK1HTT
SCHEMBL5899688 0.73 TYR (0.55) HTTALOX5KAT8PPARAKDM4E
SCHEMBL9018867 0.73 OPRD1 (0.41) CYP19A1HPGDHTTALOX5KDM4E
SCHEMBL10716857 0.73 HIF1A (0.43) CYP19A1GPR84
SCHEMBL8422212 0.72 TYR (0.54) HTTALOX5KAT8PPARAKDM4E

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-2024124203-A2 TARGETED TREATMENT OF SPLICEOPATHY-INDUCED NEUROLOGICAL DISORDERS AUTTX, LLC (US) 2024-06-13 — — WO disclosed
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