SCHEMBL28314719

SCHEMBL28314719

CC(C)(C)OC(=O)CC(=O)O.[KH].[LiH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
DGAT1 O75907 1/20 0.38
CYP2D6 P10635 1/20 0.37
LDHA P00338 1/20 0.36
SRR Q9GZT4 1/20 0.36
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TSHR P16473 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL27486074 0.98 MEN1 (0.41) MEN1GAAKMT2ATDP1DGAT1
SCHEMBL223525 0.98 MEN1 (0.41) MEN1GAAKMT2ATDP1DGAT1
SCHEMBL52738 0.95 MEN1 (0.42) MEN1GAAKMT2ATDP1DGAT1
Ammonia Solution, Strong SCHEMBL3971260 0.93 MEN1 (0.41) MEN1GAAKMT2ATDP1DGAT1
SCHEMBL28314694 0.93 MEN1 (0.41) MEN1GAAKMT2ATDP1DGAT1
Ethane SCHEMBL1979252 0.93 MEN1 (0.41) MEN1GAAKMT2ATDP1DGAT1
SCHEMBL21406297 0.93 MEN1 (0.41) MEN1GAAKMT2ATDP1DGAT1
Methane SCHEMBL17763563 0.93 MEN1 (0.41) MEN1GAAKMT2ATDP1DGAT1
Butane SCHEMBL14890902 0.88 MEN1 (0.39) MEN1GAAKMT2ATDP1DGAT1
SCHEMBL25275143 0.84 DGAT1 (0.37) MEN1GAAKMT2ATDP1DGAT1

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-110172019-A The metal salt of malonic acid as the nucleating additive for crystalline thermoplastic 印度石油有限公司 2019-08-27 CN disclosed