SCHEMBL4585129

SCHEMBL4585129

Nc1c(O)noc1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
PTGS2 P35354 4/20 0.36
PTGS1 P23219 1/20 0.36
PDE3A Q14432 1/20 0.36
GABRA5 P31644 3/20 0.34
GABRB2 P47870 3/20 0.34
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34
GABRQ Q9UN88 2/20 0.34

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
SCHEMBL11362942 0.76 PTGS2 (0.36) CYP1A2PTGS2PTGS1PDE3A
SCHEMBL11362923 0.76 PTGS2 (0.36) CYP1A2PTGS2PTGS1PDE3A
SCHEMBL11370548 0.69 PTGS2 (0.40) PTGS2PTGS1PDE3A
Propionic Acid SCHEMBL4774389 0.69 FFAR3 (0.37) CYP1A2GABRA5GABRB2GAA
SCHEMBL12473718 0.63 PTGS2 (0.38) PTGS2PTGS1PDE3AGAA
SCHEMBL17164817 0.62 PTGS2 (0.37) PTGS2PTGS1PDE3AGAA
SCHEMBL9482466 0.61 CYP1A2 (0.52) CYP1A2GABRA5GABRB2GABRPGABRD
SCHEMBL11268242 0.61 CYP1A2 (0.37) CYP1A2GABRA5GABRB2GABRPGABRD
SCHEMBL13544355 0.60 PTGS2 (0.46) PTGS2PTGS1PDE3AGAA
SCHEMBL11008691 0.60 GABRA5 (0.42) CYP1A2GABRA5GABRB2GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404864-A4 REGULATION OF NEURONAL FUNCTION THROUGH METABOTROPIC GLUTAMATE RECEPTOR SIGNALING PATHWAYS UNIV ROCKEFELLER (US) 2008-05-28 EP disclosed
US-7129073-B2 Regulation of neuronal function through metabotropic glutamate receptor signaling pathways THE ROCKEFELLER UNIVERSITY (US) 2006-10-31 US disclosed
US-20060223158-A1 REGULATION OF NEURONAL FUNCTION THROUGH METABOTROPIC GLUTAMATE RECEPTOR SIGNALING PATHWAYS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-10-05 US disclosed
EP-1404864-A2 REGULATION OF NEURONAL FUNCTION THROUGH METABOTROPIC GLUTAMATE RECEPTOR SIGNALING PATHWAYS THE ROCKEFELLER UNIVERSITY (US) 2004-04-07 EP disclosed
WO-2002102768-A2 REGULATION OF NEURONAL FUNCTION THROUGH METABOTROPIC GLUTAMATE RECEPTOR SIGNALING PATHWAYS THE ROCKEFELLER UNIVERSITY (US) 2002-12-27 WO disclosed