SCHEMBL28091569

SCHEMBL28091569

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
FBP1 P09467 8/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PKM P14618 3/20 0.36
THRB P10828 2/20 0.36
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MMP8 P22894 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
HBB P68871 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL28215158 0.81 CYP4F2 (0.46) CYP4F2CYP4A11FBP1PKMTHRB
SCHEMBL2021436 0.80 CYP4F2 (0.67) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL5306680 0.76 CYP4F2 (0.62) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL26670515 0.75 PKM (0.45) CYP4F2CYP4A11FBP1MEN1KMT2A
SCHEMBL2014486 0.74 ALDH1A1 (0.43) CYP4F2CYP4A11FBP1MEN1KMT2A
SCHEMBL6254544 0.74 CYP4F2 (0.85) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL4303348 0.74 HIF1A (0.44) MEN1KMT2AALDH1A1LMNABLM
SCHEMBL6257314 0.74 CYP4F2 (0.85) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL1723361 0.74 CYP4F2 (0.71) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL8160235 0.74 CYP4F2 (0.60) CYP4F2CYP4A11MEN1KMT2APKM

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-105980363-A Aminopyrazolone Derivatives 第三共株式会社 2016-09-28 CN disclosed