SCHEMBL7901019

SCHEMBL7901019

CCOC(=O)CCc1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.51
PPARG P37231 2/20 0.51
PPARD Q03181 1/20 0.51
PPARA Q07869 1/20 0.51
NR1H4 Q96RI1 1/20 0.50
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
PTGER1 P34995 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
FFAR4 Q5NUL3 2/20 0.46
MAOB P27338 2/20 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
SCHEMBL4953832 0.91 FFAR1 (0.49) FFAR1LMNAL3MBTL1MEN1KMT2A
SCHEMBL3218781 0.91 L3MBTL1 (0.47) FFAR1PPARGPPARDPPARAL3MBTL1
SCHEMBL8562654 0.89 PTGER1 (0.45) FFAR1PPARGPPARDPPARANR1H4
SCHEMBL6035792 0.89 CYP4F2 (0.50) LMNAL3MBTL1CYP4F2CYP4A11PTGER1
SCHEMBL10635313 0.89 CYP4F2 (0.53) FFAR1PPARGPPARDPPARANR1H4
SCHEMBL1746560 0.85 FFAR1 (0.67) FFAR1PPARDPTGER4PTGER3FFAR4
SCHEMBL7910887 0.84 FFAR1 (0.64) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL1744588 0.84 FFAR1 (0.58) FFAR1FFAR4
SCHEMBL1563974 0.84 FFAR4 (0.47) FFAR1PPARGPPARDPPARAFFAR4
SCHEMBL8564848 0.83 MAOB (0.51) PPARGPPARDPPARANR1H4LMNA

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 6 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
US-5047430-A Glutamate Receptor Inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-09-10 US disclosed
EP-0339927-A2 Amide compounds their production and use Takeda Chemical Industries, Ltd. (JP) 1989-11-02 EP disclosed