SCHEMBL28796325

SCHEMBL28796325

CCC(CC(=O)O)c1c(Cl)ncnc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
GABBR2 O75899 5/20 0.37
GABBR1 Q9UBS5 5/20 0.37
LMNA P02545 2/20 0.37
CYP2C9 P11712 2/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
NFKB1 P19838 1/20 0.37
DRD3 P35462 1/20 0.37
BLM P54132 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
FGFR1 P11362 1/20 0.31
FGFR4 P22455 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL16719274 1.00 FFAR1 (0.38) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL1662638 0.82 L3MBTL1 (0.36) LMNATSHRKMT2AMAPTALDH1A1
SCHEMBL16626887 0.79 FFAR1 (0.37) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL25265377 0.79 FFAR1 (0.37) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL2058832 0.70 SELE (0.34) LMNAALDH1A1
SCHEMBL310462 0.70 RECQL (0.39) LMNAALDH1A1
SCHEMBL11830388 0.69 GABBR2 (0.37) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL22193617 0.68 GABBR2 (0.69) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL11321913 0.68 GABBR2 (0.69) FFAR1GABBR2GABBR1LMNACYP2C9
SCHEMBL7676112 0.68 FFAR1 (0.37) FFAR1GABBR2GABBR1LMNACYP2C9

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
CN-102574852-B AKT inhibitors LILLY CO ELI 2014-06-25 CN disclosed
CN-102574852-A AKT inhibitors LILLY CO ELI 2012-07-11 CN disclosed