SCHEMBL29022969

SCHEMBL29022969

CC(C)(C)CCC(=O)OOC(C)(C)C.CC(C)(C)CCCCCC(=O)OOC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.32
EPHX2 P34913 1/20 0.31
DNM1 Q05193 1/20 0.31
LMNA P02545 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TSHR P16473 2/20 0.30
ALDH1A1 P00352 2/20 0.30
PAM P19021 2/20 0.30
HSD17B10 Q99714 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
SCHEMBL4105663 0.96 DGKA (0.34) DGKAEPHX2LMNATDP1FFAR1
SCHEMBL35530 0.96 DGKA (0.34) DGKAEPHX2LMNATDP1FFAR1
SCHEMBL29084299 0.94 TSHR (0.33) DGKAEPHX2TDP1TSHRALDH1A1
Tert-Butyl Hydroperoxide SCHEMBL29163722 0.91 DGKA (0.32) DGKAEPHX2LMNAALDH1A1
SCHEMBL29079246 0.90 DGKA (0.31) DGKAEPHX2
SCHEMBL8369154 0.89 TSHR (0.34) TDP1TSHRALDH1A1HSD17B10
SCHEMBL142540 0.89 TSHR (0.35) TDP1TSHRALDH1A1HSD17B10
SCHEMBL28959080 0.87
SCHEMBL28325994 0.87 DGKA (0.40) DGKAEPHX2DNM1LMNATDP1
SCHEMBL11420930 0.87 DGKA (0.40) DGKAEPHX2DNM1LMNATDP1

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-113891911-B Rubber composition, sulfide, and vulcanized molded article 电化株式会社 2024-10-29 CN disclosed
CN-116323784-A Rubber composition, sulfide, and vulcanized molded article 电化株式会社 2023-06-23 CN disclosed