SCHEMBL6143041

SCHEMBL6143041

COC(=O)OC1=C(C(F)(F)F)SCCO1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6142845 0.81 CTNNB1 (0.31)
SCHEMBL5183059 0.77 KDM4E (0.31) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL3768277 0.67 TDP1 (0.41) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3764121 0.58 MAPK1 (0.36) HSD17B10
SCHEMBL697018 0.56 KIF11 (0.56) ALDH1A1
SCHEMBL15453564 0.56 CES2 (0.45) ALDH1A1MAPT
SCHEMBL29198709 0.55 ALDH1A1 (0.36) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL576693 0.55 ALDH1A1 (0.36) KDM4EALDH1A1MAPTHPGDALOX15
Oxirane SCHEMBL29281354 0.55
SCHEMBL1439154 0.54 HSD17B10 (0.42) KDM4EALDH1A1MAPTHPGDHSD17B10

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
EP-1599460-A2 OXATHIIN CARBOXAMIDE Bayer CropScience Aktiengesellschaft (DE) 2005-11-30 EP disclosed
WO-2004072023-A2 OXATHIIN CARBOXAMIDE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-26 WO disclosed