SCHEMBL28071202

SCHEMBL28071202

CCOC(=O)C(C)(C)NCCN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.39
MMP8 P22894 2/20 0.39
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CPB2 Q96IY4 1/20 0.34
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL16667998 0.98 PKM (0.38) PKMMMP8CYP1A2KDM4ECYP4F2
SCHEMBL18430092 0.79 PKM (0.43) PKMMMP8CYP1A2KDM4ECYP4F2
SCHEMBL26095606 0.78 DGAT1 (0.42) GAAMEN1KMT2A
SCHEMBL3700953 0.78 CYP4F2 (0.42) PKMMMP8KDM4ECYP4F2CYP4A11
SCHEMBL8397654 0.78 SMN1; SMN2 (0.40) PKMMMP8CYP1A2KDM4ECYP4F2
SCHEMBL28010269 0.77 MMP8 (0.39) PKMMMP8CYP1A2KDM4ECYP4F2
SCHEMBL28606353 0.76 PKM (0.43) PKMMMP8CYP1A2KDM4ECYP4F2
SCHEMBL31251984 0.75 PKM (0.43) PKMMMP8CYP1A2KDM4ECYP4F2
SCHEMBL16668362 0.75 TDP1 (0.47) PKMCYP1A2KDM4ETHRBGAA
SCHEMBL26452808 0.74 PAOX (0.37) KDM4EGAAMEN1KMT2A

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-105683188-A Ring-fused bicyclic pyridyl derivatives as FGFR4 inhibitors 诺华股份有限公司 2016-06-15 CN disclosed