SCHEMBL29614943

SCHEMBL29614943

CC1(C)OB(c2cccc(-c3cn[nH]c3)c2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.45
AKT2 P31751 1/20 0.45
LIPG Q9Y5X9 8/20 0.44
LPL P06858 7/20 0.44
DGAT1 O75907 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
PIM1 P11309 3/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
RPS6KA3 P51812 1/20 0.36
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
DYRK1A Q13627 1/20 0.35
HIPK1 Q86Z02 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
HIPK3 Q9H422 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
ROCK2 O75116 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
SCHEMBL20050714 1.00 AKT1 (0.45) AKT1AKT2LIPGLPLDGAT1
SCHEMBL806784 0.83 LIPG (0.60) LIPGLPLIRAK4
SCHEMBL488172 0.82 LIPG (0.57) AKT1AKT2LIPGLPLDGAT1
SCHEMBL31456342 0.81 LIPG (0.58) LIPGLPLIRAK4
SCHEMBL20023287 0.81 LIPG (0.58) LIPGLPLIRAK4
SCHEMBL31456345 0.81 LIPG (0.58) LIPGLPLIRAK4
SCHEMBL21142655 0.81 LPL (0.42) AKT1AKT2LIPGLPLDGAT1
SCHEMBL15495620 0.80 LIPG (0.56) LIPGLPLIRAK4
SCHEMBL18239827 0.79 LIPG (0.43) LIPGLPLDGAT1IRAK4
SCHEMBL3362199 0.78 LIPG (0.70) LIPGLPLDGAT1IRAK4

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
CN-109803963-B Cyano-substituted heterocycles having USP30 inhibitor activity 特殊治疗有限公司 2022-04-26 CN disclosed