SCHEMBL9493387

SCHEMBL9493387

CCOC(=O)C(Cc1ccc(OCc2ccccc2)cc1)C(=O)OCC

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.67
LMNA P02545 1/20 0.67
PPARA Q07869 4/20 0.61
PPARG P37231 3/20 0.61
PPARD Q03181 1/20 0.61
MMP8 P22894 1/20 0.59
ALOX5 P09917 3/20 0.58
LTA4H P09960 2/20 0.57
NR1H4 Q96RI1 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LAP3 P28838 1/20 0.56
FFAR1 O14842 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
MAOB P27338 2/20 0.55
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL15707904 0.96 LMNA (0.62) L3MBTL1LMNAPPARAPPARGPPARD
SCHEMBL27385612 0.96 LMNA (0.65) L3MBTL1LMNAPPARAPPARGPPARD
SCHEMBL4855268 0.93 LMNA (0.62) L3MBTL1LMNAPPARAPPARGPPARD
SCHEMBL27461095 0.91 LMNA (0.57) L3MBTL1LMNAPPARAPPARGPPARD
SCHEMBL27539789 0.89 L3MBTL1 (0.61) L3MBTL1LMNAPPARAPPARGPPARD
SCHEMBL1596779 0.87 L3MBTL1 (0.65) L3MBTL1LMNAPPARAPPARGPPARD
SCHEMBL4756342 0.87 L3MBTL1 (0.65) L3MBTL1LMNAPPARAPPARGPPARD
SCHEMBL5375675 0.87 L3MBTL1 (0.65) L3MBTL1LMNAPPARAPPARGPPARD
SCHEMBL165382 0.86 MMP8 (0.76) L3MBTL1LMNAPPARGMMP8ALDH1A1
SCHEMBL7492211 0.86 L3MBTL1 (0.64) L3MBTL1LMNAPPARAPPARGPPARD

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
EP-0254080-B1 MALONIC ACID DERIVATIVES AND METHODS FOR THEIR SYNTHESIS ENIRICERCHE S.p.A. (IT) 1993-03-17 EP disclosed
US-4914226-A Malonic acid derivatives and methods for their synthesis ENIRICERCHE S.P.A. (IT) 1990-04-03 US disclosed
EP-0254080-A2 Malonic acid derivatives and methods for their synthesis ENIRICERCHE S.p.A. (IT) 1988-01-27 EP disclosed