SCHEMBL13656102

SCHEMBL13656102

CC(=O)CS(=O)(=O)CC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.33
CES2 O00748 2/20 0.33
CES1 P23141 1/20 0.33
POLB P06746 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL14945717 0.78 POLB (0.32) POLBALDH1A1SMN1; SMN2
SCHEMBL11394367 0.78 POLB (0.57) FAAHCES2CES1POLBALDH1A1
SCHEMBL11576147 0.76 ALDH1A1 (0.31) POLBALDH1A1
SCHEMBL11444113 0.76 POLB (0.31) POLB
SCHEMBL28115278 0.76 POLB (0.50) POLBALDH1A1SMN1; SMN2
SCHEMBL6984208 0.76 TSHR (0.39) FAAHCES2CES1
SCHEMBL777742 0.73 CA1 (0.35)
SCHEMBL10773262 0.71
SCHEMBL777906 0.71 CES1 (0.34) FAAHCES2CES1
SCHEMBL13656098 0.70 ALDH1A1 (0.32) FAAHCES2CES1POLBALDH1A1

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
US-20090246481-A1 DISPERSION OF WATER-INSOLUBLE COLORANT, METHOD OF PRODUCING SUBSTANCE CONTAINING WATER-INSOLUBLE COLORANT, FINE PARTICLES OF WATER-INSOLUBLE COLORANT, DISPERSING AGENT FOR WATER-INSOLUBLE COLORANT, AND RECORDING LIQUID, INK SET, PRINTED ARTICLE, METHOD OF FORMING IMAGE AND IMAGE FORMING APPARATUS USING THE SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed