SCHEMBL5945552

SCHEMBL5945552

CCCCCCCC(Cc1ccccc1)OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.52
GLS2 Q9UI32 3/20 0.52
CSNK1E P49674 1/20 0.51
DAGLA Q9Y4D2 1/20 0.50
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
ALDH1A1 P00352 1/20 0.47
CNR2 P34972 1/20 0.47
MMP2 P08253 9/20 0.45
MMP1 P03956 4/20 0.45
MMP3 P08254 4/20 0.45

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
SCHEMBL27549298 1.00 CTSK (0.52) CTSKGLS2CSNK1EDAGLACTSL
SCHEMBL11308906 0.99 CTSK (0.51) CTSKGLS2CSNK1EDAGLACTSL
SCHEMBL8204879 0.98 CTSK (0.53) CTSKGLS2CSNK1EDAGLACTSL
SCHEMBL1837115 0.90 CTSK (0.53) CTSKCSNK1EDAGLACTSLCTSB
SCHEMBL1841343 0.90 CTSK (0.53) CTSKCSNK1EDAGLACTSLCTSB
SCHEMBL1839268 0.90 CTSK (0.53) CTSKCSNK1EDAGLACTSLCTSB
SCHEMBL1837041 0.88 CTSK (0.54) CTSKCSNK1EDAGLACTSLCTSB
SCHEMBL2289952 0.88 CTSK (0.56) CTSKCTSLCTSBALDH1A1
SCHEMBL12378816 0.88 CTSK (0.56) CTSKCTSLCTSBALDH1A1
SCHEMBL29127650 0.87 GLS2 (0.52) GLS2ALDH1A1

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-20060086048-A1 Foam dentifrice composition and method ROMLEY MICHAEL G 2006-04-27 US claimed