SCHEMBL18167166

SCHEMBL18167166

CC(=O)C1CCCCC1=O.CC(C)(C)C(=O)CC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.37
TLR4 O00206 6/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL63339 0.84 MCL1 (0.53) MCL1MAPK1HTTTLR4CA1
SCHEMBL29010313 0.82 MCL1 (0.52) MCL1MAPK1HTTTLR4CA1
SCHEMBL6914585 0.82 MCL1 (0.52) MCL1MAPK1HTTTLR4CA1
SCHEMBL28643556 0.82 MCL1 (0.52) MCL1MAPK1HTTTLR4CA1
SCHEMBL15364870 0.82 MCL1 (0.52) MCL1MAPK1HTTTLR4CA1
SCHEMBL11114524 0.82 MCL1 (0.52) MCL1MAPK1HTTTLR4CA1
SCHEMBL11664151 0.82 MCL1 (0.52) MCL1MAPK1HTTTLR4CA1
SCHEMBL31387265 0.82 MCL1 (0.52) MCL1MAPK1HTTTLR4CA1
Zinc Ion SCHEMBL31034477 0.82 MCL1 (0.52) MCL1MAPK1HTTTLR4CA1
SCHEMBL27710740 0.82 MCL1 (0.52) MCL1MAPK1HTTTLR4CA1

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-2935492-B1 ARTICLE WITH ANTIFOULING PROPERTIES, INTENDED FOR AQUATIC USES AND, IN PARTICULAR, FOR MARINE USES BLUESTAR SILICONES FRANCE (FR) 2016-10-26 EP claimed