SCHEMBL29196704

SCHEMBL29196704

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.41
CA1 P00915 3/20 0.39
GABRR1 P24046 2/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 3/20 0.34
ALDH1A1 P00352 3/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ACHE P22303 1/20 0.32

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
SCHEMBL28616308 0.83 BLM (0.34) BLMCA1GABRR1CYP1A2TSHR
SCHEMBL7707505 0.82 SMN1; SMN2 (0.41) BLMCA1GABRR1CYP1A2CA12
SCHEMBL28385994 0.82 BLM (0.40) BLMCA1GABRR1CYP1A2TSHR
SCHEMBL7843927 0.80 ALDH1A1 (0.42) BLMALDH1A1
SCHEMBL28882910 0.80 TSHR (0.40) BLMCA1GABRR1CYP1A2TSHR
SCHEMBL28616311 0.80 BLM (0.32) BLM
SCHEMBL2914469 0.79 SMN1; SMN2 (0.41) CA1TSHRALDH1A1TDP1CA2
SCHEMBL4601896 0.77 BLM (0.36) BLMCA1GABRR1CYP1A2TSHR
SCHEMBL22773828 0.75 CA1 (0.50) CA1TSHRALDH1A1TDP1CA2
SCHEMBL10332116 0.75 PRKCA (0.37) BLMCA1

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-117413010-A Auxiliary cross-linking agent composition for olefin copolymer, cross-linking composition and additive for optical device packaging agent composition 株式会社LG化学 2024-01-16 CN claimed