SCHEMBL1898874

SCHEMBL1898874

CSC(C)(SC)C(=O)Oc1ccc(C(F)(F)F)cc1NC(=O)C1(CCC(C)C)CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 15/20 0.64
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
PSMB11 A5LHX3 1/20 0.35
PSMA7 O14818 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMA1 P25786 1/20 0.35
PSMA2 P25787 1/20 0.35
PSMA3 P25788 1/20 0.35
PSMA4 P25789 1/20 0.35
PSMB8 P28062 1/20 0.35
PSMB9 P28065 1/20 0.35
PSMA5 P28066 1/20 0.35
PSMB4 P28070 1/20 0.35
PSMB6 P28072 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
SCHEMBL1896736 0.89 CETP (0.63) CETP
SCHEMBL1898634 0.88 CETP (0.63) CETPCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL1897143 0.85 CETP (0.53) CETP
SCHEMBL1899968 0.85 CETP (0.48) CETPCYP1A2CYP2C19KMT2A
SCHEMBL1899253 0.85 CETP (0.65) CETP
SCHEMBL1900688 0.84 CETP (0.61) CETP
SCHEMBL1900918 0.84 CETP (0.62) CETP
SCHEMBL1900907 0.84 CETP (0.62) CETP
SCHEMBL1896860 0.83 CETP (0.60) CETP
SCHEMBL1902078 0.82 CETP (0.63) CETPKDM4EKMT2A

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
EP-2316447-A1 Method of inhibiting remnant lipoprotein production Japan Tobacco, Inc. (JP) 2011-05-04 EP claimed
EP-2319509-A1 Method of Inhibiting remnant lipoprotein production Japan Tobacco, Inc. (JP) 2011-05-11 EP disclosed