SCHEMBL15055415

SCHEMBL15055415

CC(C)(C)NNC(=O)CCNC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
KDM5C P41229 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
ECE1 P42892 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGAV P06756 1/20 0.30

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
SCHEMBL15055567 0.89 TSHR (0.35) KDM4EKDM5CEGLN1PHF8KDM2A
SCHEMBL3711344 0.78 CYP2C19 (0.38) KDM4EKDM5CEGLN1PHF8KDM2A
SCHEMBL21110596 0.75 ADRA1A (0.36) KDM4EKDM5CEGLN1PHF8KDM2A
SCHEMBL4223239 0.75 SMN1; SMN2 (0.46) KDM4EKDM5CEGLN1PHF8KDM2A
SCHEMBL1935273 0.72 ALDH1A1 (0.39) KDM4EKDM5CEGLN1PHF8KDM2A
SCHEMBL4040747 0.72 LMNA (0.46) KDM4EKDM5CEGLN1PHF8KDM2A
SCHEMBL6633999 0.71 MAPT (0.48) KDM4EMAPTSMN1; SMN2
SCHEMBL4229696 0.71 CYP2D6 (0.39) KDM4EKDM5CEGLN1PHF8KDM2A
SCHEMBL1760354 0.70
SCHEMBL2438348 0.70 CYP2D6 (0.36) KDM4CECE1CYP2D6CYP2C19ITGB3

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
WO-2013093931-A2 NOVEL PRODRUGS OF PHENOLIC DRUGS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2013-06-27 WO claimed