SCHEMBL17090713

SCHEMBL17090713

CC(C)(C)C(=S)CC(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.37
CES1 P23141 7/20 0.35
CES2 O00748 4/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLOD2 O00469 3/20 0.35
PLOD3 O60568 2/20 0.34
PLOD1 Q02809 2/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL4825236 0.82 KMT2A (0.32) KMT2A
SCHEMBL8070156 0.77 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6912868 0.77 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL77034 0.77 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL17090712 0.75 FAAH (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL183178 0.73 PLOD2 (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL16627914 0.73 MEN1 (0.37) MEN1KMT2A
SCHEMBL23009373 0.72 PLOD2 (0.43) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6559914 0.72 PLOD2 (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL17089336 0.72 MGAM (0.38)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469799-B2 Metal containing condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2016-10-18 US disclosed
US-20150337190-A1 Metal Containing Condensation Reaction Catalysts, Methods for Preparing the Catalysts, and Compositions Containing the Catalysts DOW SILICONES CORPORATION 2015-11-26 US disclosed
US-9139699-B2 Metal containing condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2015-09-22 US disclosed