SCHEMBL29347122

SCHEMBL29347122

CC(C)(C)OC(=O)CCCCCCCn1c(=O)n(C2CCCCCCCC2=O)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 2/20 0.40
▸ CACNA1G O43497 2/20 0.39
▸ CACNA1H O95180 2/20 0.39
▸ OPRL1 P41146 8/20 0.39
▸ OPRM1 P35372 6/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ SLC18A3 Q16572 1/20 0.35
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL31068578 0.85 HTR4 (0.39) HTR4CACNA1GCACNA1HOPRL1OPRM1
SCHEMBL29347124 0.84 DDB1 (0.47) HTR4CACNA1GCACNA1HOPRL1OPRM1
SCHEMBL28649449 0.83 DDB1 (0.53) CACNA1GCACNA1HKDM4EALDH1A1
SCHEMBL29347429 0.83 DDB1 (0.48) HTR4CACNA1GCACNA1HOPRL1OPRM1
SCHEMBL29347132 0.74 DDB1 (0.37) HTR4CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31068531 0.73 DDB1 (0.45) KDM4EALDH1A1CNR2
SCHEMBL31730014 0.71 DDB1 (0.50) CNR2
SCHEMBL29347058 0.71 ALDH1A1 (0.44) OPRL1OPRM1KDM4EALDH1A1L3MBTL1
SCHEMBL31068515 0.70 DDB1 (0.51) OPRL1OPRM1KDM4EALDH1A1L3MBTL1
SCHEMBL24269179 0.69 DDB1 (0.48) HTR4OPRL1OPRM1

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-2024150815-A1 CEREBLON E3 LIGASE BINDING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND PRODUCTION METHOD THEREFOR 田辺三菱製薬株式会社 2024-07-18 — — WO disclosed
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