SCHEMBL29625515

SCHEMBL29625515

CC(C)(C)OC(=O)[C](C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.42
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.32
ELANE P08246 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 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
SCHEMBL78520 0.86 DGAT1 (0.46) DGAT1ALDH1A1USP2SMN1; SMN2ELANE
SCHEMBL29399642 0.83
SCHEMBL11621321 0.80 DGAT1 (0.42) DGAT1ALDH1A1USP2SMN1; SMN2ELANE
SCHEMBL15108015 0.80 DGAT1 (0.42) DGAT1ALDH1A1USP2SMN1; SMN2ELANE
Hydrazine SCHEMBL10794464 0.80 DGAT1 (0.42) DGAT1ALDH1A1USP2SMN1; SMN2ELANE
SCHEMBL16045685 0.80 DGAT1 (0.42) DGAT1ALDH1A1USP2SMN1; SMN2ELANE
SCHEMBL31458678 0.78 DGAT1 (0.40) DGAT1ALDH1A1USP2SMN1; SMN2ELANE
SCHEMBL9395613 0.78 DGAT1 (0.40) DGAT1ALDH1A1USP2SMN1; SMN2ELANE
SCHEMBL1088879 0.78 DGAT1 (0.40) DGAT1ALDH1A1USP2SMN1; SMN2ELANE
SCHEMBL3844213 0.78 DGAT1 (0.40) DGAT1ALDH1A1USP2SMN1; SMN2MAPK1

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-107949629-B Molybdenum-containing lubricant and use thereof for improving low-speed pre-ignition 雅富顿化学公司 2022-05-31 CN disclosed