SCHEMBL13822837

SCHEMBL13822837

CCOC(=O)OC1C(S(=O)(=O)C(F)(F)F)C1S(=O)(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SOAT1 P35610 1/20 0.38
LMNA P02545 1/20 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
SCHEMBL3000733 0.75 PPM1B (0.38) ALDH1A1SOAT1LMNAHSD17B10
SCHEMBL16869431 0.67 ALDH1A1 (0.52) ALDH1A1SOAT1LMNAHSD17B10
SCHEMBL29098413 0.67 ALDH1A1 (0.46) ALDH1A1SOAT1LMNAHSD17B10
SCHEMBL8467444 0.65 ALDH1A1 (0.55) ALDH1A1SOAT1LMNAHSD17B10
Butane SCHEMBL2229576 0.62 ALDH1A1 (0.87) ALDH1A1SOAT1LMNAHSD17B10
SCHEMBL1078049 0.62 ALDH1A1 (0.57) ALDH1A1SOAT1LMNAHSD17B10
SCHEMBL321036 0.62 ALDH1A1 (0.57) ALDH1A1SOAT1LMNAHSD17B10
SCHEMBL4640870 0.62
SCHEMBL16435698 0.62 HSD11B1 (0.48) ALDH1A1SOAT1LMNA
SCHEMBL1077452 0.62 ALDH1A1 (0.44) ALDH1A1SOAT1LMNAHSD17B10

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-2159232-B1 OLEFIN POLYMERIZATION CATALYST AND PREPARATION METHOD AND USE THEREOF PETROCHINA CO LTD (CN) 2012-11-21 EP claimed