SCHEMBL10154087

SCHEMBL10154087

CCOC(=O)C(C)(C)NI

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.43
MMP8 P22894 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
THRB P10828 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX15 P16050 1/20 0.37
SOAT1 P35610 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL4763665 0.79 PKM (0.44) PKMMMP8KDM4EMGAMGAA
SCHEMBL31252077 0.77 PKM (0.46) PKMMMP8KDM4EMGAMGAA
SCHEMBL31251984 0.77 PKM (0.43) PKMMMP8KDM4EMGAMGAA
SCHEMBL18430092 0.77 PKM (0.43) PKMMMP8KDM4EMGAMGAA
SCHEMBL12654680 0.77 PKM (0.43) PKMMMP8KDM4EMGAMGAA
SCHEMBL6371782 0.75 PKM (0.42) PKMMMP8KDM4EMGAMGAA
SCHEMBL912903 0.74 PKM (0.62) PKMMMP8KDM4EMGAMGAA
SCHEMBL12761586 0.74 MMP8 (0.49) PKMMMP8KDM4EMGAMGAA
SCHEMBL3199511 0.73
SCHEMBL4306023 0.73 ALOX15 (0.48) PKMMMP8KDM4EMGAMGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012012776-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2012-01-26 WO disclosed
WO-2010093608-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-08-19 WO disclosed