SCHEMBL28215158

SCHEMBL28215158

CCOC(=O)C(C)(C)C[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
FBP1 P09467 13/20 0.39
THRB P10828 1/20 0.38
PKM P14618 2/20 0.36
MMP8 P22894 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL14510424 0.82 FBP1 (0.38) CYP4F2CYP4A11FBP1THRBPKM
SCHEMBL28091569 0.81 CYP4F2 (0.51) CYP4F2CYP4A11FBP1THRBPKM
SCHEMBL22804847 0.79 NPSR1 (0.39) ALDH1A1
SCHEMBL2014486 0.77 ALDH1A1 (0.43) CYP4F2CYP4A11FBP1THRBPKM
SCHEMBL19853013 0.77 FBP1 (0.35) CYP4F2CYP4A11FBP1THRBPKM
SCHEMBL14510415 0.75 FBP1 (0.35) CYP4F2CYP4A11FBP1PKMKDM4E
SCHEMBL11804056 0.75 FBP1 (0.44) CYP4F2CYP4A11FBP1THRBPKM
SCHEMBL8412595 0.75 FBP1 (0.41) CYP4F2CYP4A11FBP1THRBPKM
SCHEMBL14510425 0.74 MEN1 (0.35) CYP4F2CYP4A11FBP1THRBPKM
SCHEMBL2021436 0.73 CYP4F2 (0.67) CYP4F2CYP4A11THRBPKMMMP8

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
CN-108192933-A A kind of method that enzyme process prepares aliskiren key intermediate 上海韶屹生物科技有限公司 2018-06-22 CN disclosed