SCHEMBL8204879

SCHEMBL8204879

CCCCCC(Cc1ccccc1)OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.53
GLS2 Q9UI32 3/20 0.50
CTSL P07711 2/20 0.50
CTSB P07858 2/20 0.50
CSNK1E P49674 1/20 0.49
DAGLA Q9Y4D2 1/20 0.48
CNR2 P34972 1/20 0.48
CTSH P09668 1/20 0.46
MMP12 P39900 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LTA4H P09960 1/20 0.45
BIRC2 Q13490 1/20 0.44
MMP2 P08253 3/20 0.43
MMP1 P03956 1/20 0.43

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
SCHEMBL5945552 0.98 CTSK (0.52) CTSKGLS2CTSLCTSBCSNK1E
SCHEMBL27549298 0.98 CTSK (0.52) CTSKGLS2CTSLCTSBCSNK1E
SCHEMBL11308906 0.97 CTSK (0.51) CTSKGLS2CTSLCTSBCSNK1E
SCHEMBL1837041 0.89 CTSK (0.54) CTSKCTSLCTSBCSNK1EDAGLA
SCHEMBL2289952 0.89 CTSK (0.56) CTSKCTSLCTSBCTSHMMP12
SCHEMBL12378816 0.89 CTSK (0.56) CTSKCTSLCTSBCTSHMMP12
SCHEMBL1837115 0.88 CTSK (0.53) CTSKCTSLCTSBCSNK1EDAGLA
SCHEMBL1841343 0.88 CTSK (0.53) CTSKCTSLCTSBCSNK1EDAGLA
SCHEMBL1839268 0.88 CTSK (0.53) CTSKCTSLCTSBCSNK1EDAGLA
SCHEMBL29127650 0.86 GLS2 (0.52) GLS2ALDH1A1LTA4H

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-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO disclosed