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Sugi Predict / Compounds / SCHEMBL15519584

SCHEMBL15519584

SCHEMBL15519584

CCCC(=O)O[C@H]1CC[C@H](CN(CC)c2ncc(C(F)(F)F)cc2CN(Cc2cc(C#N)cc(C(F)(F)F)c2)c2nnn(C)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 19/20 0.40
▸ ENPP2 Q13822 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
SCHEMBL15519585 1.00 CETP (0.40) CETPENPP2
SCHEMBL2559918 0.93 CETP (0.41) CETP
SCHEMBL680480 0.90 CETP (0.41) CETP
SCHEMBL680481 0.90 CETP (0.41) CETP
SCHEMBL680586 0.88 CETP (0.40) CETP
SCHEMBL680585 0.88 CETP (0.40) CETP
SCHEMBL27986103 0.88 CETP (0.36) CETP
SCHEMBL680080 0.83 CETP (0.41) CETP
SCHEMBL680081 0.83 CETP (0.41) CETP
SCHEMBL15706281 0.81 CETP (0.40) CETP

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
EP-2383253-B1 METHOD FOR MANUFACTURING TRANS-{4-[(ALKYL AMINO) METHYL]CYCLOHEXYL} ACETIC ESTER KOWA CO (JP) 2014-03-19 — — EP disclosed