SCHEMBL7524973

SCHEMBL7524973

Cc1c(C(=O)O)ccc(C(=O)O)c1CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.37
HAAO P46952 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36

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
SCHEMBL7523850 0.89 PPARA (0.38) CYP1A2TSHRHAAOGABRPGABRD
SCHEMBL16230198 0.85 LMNA (0.37) CYP1A2GAAHPGD
SCHEMBL125463 0.85 CYP1A2 (0.48) CYP1A2GAATSHRPTPN1ACMSD
SCHEMBL29664884 0.85 CYP1A2 (0.48) CYP1A2GAATSHRPTPN1ACMSD
SCHEMBL32680310 0.84 LDHA (0.41) CYP1A2TSHRGABRPGABRDGABRA1
Ethylene Glycol SCHEMBL25436654 0.83 CYP1A2 (0.46) CYP1A2GAATSHRPTPN1ACMSD
SCHEMBL17999119 0.81 PPARA (0.53) GABRPGABRDGABRA1GABRB1GABRG2
Ethylene Glycol SCHEMBL32685379 0.81 CYP1A2 (0.48) CYP1A2TSHRHAAOGABRPGABRD
Ethylene Glycol SCHEMBL25205438 0.81 CYP1A2 (0.48) CYP1A2TSHRHAAOGABRPGABRD
Ethylene Glycol SCHEMBL10545807 0.81 CYP1A2 (0.48) CYP1A2TSHRHAAOGABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326335-A1 METHOD FOR FORMING AN AROMATIC DIACID AND/OR AN AROMATIC DIACID PRECURSOR FROM A POLYESTER-CONTAINING FEEDSTOCK BP CORPORATION NORTH AMERICA INC. (US) 2016-11-10 US claimed
EP-0780340-B1 Intercalates and exfoliates formed with functional monomeric organic compounds; composite materials containing same and methods of modifying rheology therewith AMCOL INTERNATIONAL CORP (US) 2002-03-20 EP claimed
EP-0747323-B1 Intercalates; exfoliates; process for manufacturing intercalates and exfoliates and composite materials containing same AMCOL INTERNATIONAL CORP (US) 2001-12-12 EP claimed
EP-0741124-B1 Removal of dimethylterephthalate from a methanolysis vapor stream EASTMAN KODAK CO (US) 1999-12-08 EP claimed
EP-0599309-B1 A process of recovering components from scrap polyester EASTMAN KODAK CO (US) 1997-05-21 EP claimed
EP-0547106-B1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS PROCTER & GAMBLE (US) 1995-12-27 EP claimed
EP-0599309-A2 A process of recovering components from scrap polyester EASTMAN KODAK COMPANY (US) 1994-06-01 EP claimed
US-5298530-A Process of recovering components from scrap polyester EASTMAN KODAK COMPANY (US) 1994-03-29 US claimed
US-20160326335-A1 METHOD FOR FORMING AN AROMATIC DIACID AND/OR AN AROMATIC DIACID PRECURSOR FROM A POLYESTER-CONTAINING FEEDSTOCK BP CORPORATION NORTH AMERICA INC. (US) 2016-11-10 US disclosed