SCHEMBL7900844

SCHEMBL7900844

CCOC(=O)c1cc(-c2ccc(OCc3cccnc3)cc2OC(CCC(=O)O)c2ccccc2CC)n[nH]1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL7900847 1.00 HPGDS (0.40) HPGDSPOLBMAPTPPARGPPARD
SCHEMBL8550835 0.94 MAPT (0.40) HPGDSPOLBMAPT
SCHEMBL7900697 0.94 HPGDS (0.41) HPGDSPOLBMAPT
SCHEMBL8550839 0.90 HPGDS (0.39) HPGDSPOLBMAPT
SCHEMBL7901092 0.87 MAPT (0.42) POLBMAPT
SCHEMBL7907987 0.86 POLB (0.42) POLBMAPT
SCHEMBL7907989 0.86 POLB (0.42) POLBMAPT
SCHEMBL7907975 0.86 POLB (0.42) POLBMAPT
Water SCHEMBL7910665 0.85 POLB (0.41) POLBMAPT
SCHEMBL7901161 0.85 MAPT (0.42) POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP claimed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP claimed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO claimed
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