SCHEMBL6573965

SCHEMBL6573965

CC(=O)c1nc(C)ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 0.44
ALDH1A1 P00352 2/20 0.41
ACLY P53396 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 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
SCHEMBL16723874 0.88 SMN1; SMN2 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL262422 0.88 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29625359 0.88 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28545196 0.86 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2224719 0.81 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10578396 0.80 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30775057 0.79 NPSR1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL264334 0.79 NPSR1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9632775 0.78 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
Acetic Acid SCHEMBL27787013 0.78 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2

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
EP-1089975-B1 IMPROVED METHOD FOR PRODUCING SUBSTITUTED PYRIDINE-CARBOXYLIC ACIDS DSM FINE CHEM AUSTRIA GMBH (AT) 2004-04-28 EP disclosed
CN-1117078-C Improved method for producing substituted pyridine-carboxylic acids DSM FINE CHEM AUSTRIA GMBH (AT) 2003-08-06 CN disclosed
US-6346623-B1 OZONOLYSIS OF QUINOLINE, OXIDATION WITH OXYGEN OR AIR AND DECOMPOSITION OF PEROXIDE AND PYRIDINECARBOXYLIC ACID DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2002-02-12 US disclosed
CN-1306513-A Improved process for preparing substituted pyridine carboxylic acids DSM FINE CHEM AUSTRIA GMBH (AT) 2001-08-01 CN disclosed
EP-1089975-A1 IMPROVED METHOD FOR PRODUCING SUBSTITUTED PYRIDINE-CARBOXYLIC ACIDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2001-04-11 EP disclosed
WO-1999067217-A2 METHOD FOR PRODUCING SUBSTITUTED PYRIDINE-CARBOXYLIC ACIDS DSM FINE CHEMICALS AUSTRIA GMBH (AT) 1999-12-29 WO disclosed