SCHEMBL17635362

SCHEMBL17635362

CCOC(=O)C(C)(C)C(=O)SCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.43
CYP4A11 Q02928 4/20 0.43
PKM P14618 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MMP8 P22894 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL15625124 0.81 DGAT1 (0.42)
SCHEMBL1576926 0.79 DGAT1 (0.45)
SCHEMBL1562023 0.75 ALDH1A1 (0.50) CYP4F2CYP4A11PKMKDM4EMMP8
SCHEMBL15468707 0.74 TSHR (0.32) ALDH1A1TSHRCYP2D6
Hydrochloric Acid SCHEMBL5446995 0.73 ALDH1A1 (0.48) CYP4F2CYP4A11PKMKDM4EMMP8
SCHEMBL15634844 0.71 CYP4F2 (0.35) CYP4F2CYP4A11KMT2ATSHRMGAM
SCHEMBL2443587 0.71 SOAT1 (0.44) CYP4F2CYP4A11PKMKDM4EMMP8
Butane SCHEMBL11358505 0.71 ALDH1A1 (0.46) CYP4F2CYP4A11PKMKDM4EMMP8
SCHEMBL3072338 0.71 TDP1 (0.32)
SCHEMBL12149865 0.70 RIPK1 (0.31) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2852605-B1 3',5'-CYCLIC PHOSPHATE PRODRUGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2018-01-31 EP disclosed
US-9296778-B2 3′,5′-cyclic phosphate prodrugs for HCV infection IDENIX PHARMACEUTICALS, INC. (US) 2016-03-29 US disclosed
US-9296778-B2 3′,5′-cyclic phosphate prodrugs for HCV infection IDENIX PHARMACEUTICALS, INC. (US) 2016-03-29 US disclosed