SCHEMBL7907782

SCHEMBL7907782

CCOC(=O)C(=O)C(C=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.59
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 1/20 0.55
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.48
PPARD Q03181 1/20 0.48
FFAR1 O14842 2/20 0.47
ALOX5 P09917 3/20 0.47
MAOB P27338 1/20 0.47
PRKCA P17252 1/20 0.46
PRKCD Q05655 1/20 0.46

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
SCHEMBL3820164 0.84 KMT2A (0.50) ALDH1A1LMNA
SCHEMBL4600612 0.81 L3MBTL1 (0.58) NR1H4ALDH1A1L3MBTL1LMNAALOX5
SCHEMBL2716599 0.78 LMNA (0.68) NR1H4ALDH1A1L3MBTL1LMNAFFAR1
SCHEMBL8871420 0.77 LMNA (0.64) NR1H4ALDH1A1L3MBTL1LMNAPPARG
SCHEMBL7401422 0.77 LMNA (0.71) NR1H4ALDH1A1L3MBTL1LMNAFFAR1
SCHEMBL28123460 0.77 LOXL2 (0.37) LMNA
SCHEMBL8742386 0.76 GAA (0.46) ALDH1A1L3MBTL1LMNAPPARA
SCHEMBL30558126 0.76 KMT2A (0.51) ALDH1A1L3MBTL1LMNA
SCHEMBL30100604 0.76 LMNA (0.51) ALDH1A1L3MBTL1LMNA
SCHEMBL27973452 0.76 LMNA (0.65) NR1H4ALDH1A1L3MBTL1LMNAFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211234-B1 BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID RHONE-POULENC RORER LIMITED (GB) 2001-04-03 US disclosed
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP disclosed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO disclosed