SCHEMBL26437645

SCHEMBL26437645

CC(C)NCC(=O)CNC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.36
TDP1 Q9NUW8 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
MPO P05164 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
CA9 Q16790 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.30
FAAH O00519 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
SCHEMBL14701560 0.89 DPP4 (0.33) DPP4
SCHEMBL11915757 0.84 ALDH1A1 (0.42) DPP4TDP1ALDH1A1CYP2D6CYP2C19
SCHEMBL24042636 0.84
SCHEMBL24246014 0.84
SCHEMBL14450656 0.82 DPP4 (0.32) DPP4ALDH1A1
SCHEMBL12130447 0.79
SCHEMBL161143 0.79
SCHEMBL8905117 0.79
SCHEMBL10308388 0.78 DPP4 (0.30) DPP4
Hydrochloric Acid SCHEMBL5595965 0.77

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
EP-4175001-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION BATTERY Mitsubishi Chemical Corporation (JP) 2023-05-03 EP disclosed