SCHEMBL13280997

SCHEMBL13280997

C=CCc1cc(O)ccc(O)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.52
GABRB2 P47870 4/20 0.52
POLB P06746 2/20 0.49
XDH P47989 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
KMT2A Q03164 2/20 0.43
AKR1B1 P15121 2/20 0.43
HPGD P15428 2/20 0.43
SRD5A1 P18405 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH2 P05091 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALOX5 P09917 2/20 0.41

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
SCHEMBL71514 0.84 GABRA1 (0.70) GABRA1GABRB2POLBXDHALDH1A1
SCHEMBL30893166 0.84 GABRA1 (0.70) GABRA1GABRB2POLBXDHALDH1A1
SCHEMBL4446113 0.78 GABRA1 (0.50) GABRA1GABRB2POLBXDHALDH1A1
SCHEMBL69697 0.76 TYR (0.58) GABRA1GABRB2POLBXDHALDH1A1
SCHEMBL5931905 0.76 GABRA1 (0.48) GABRA1GABRB2POLBXDHALDH1A1
SCHEMBL29837102 0.76 GABRA1 (0.48) GABRA1GABRB2POLBXDHALDH1A1
Naphthoquinone SCHEMBL27788574 0.76 GABRA1 (0.50) GABRA1GABRB2POLBXDHALDH1A1
SCHEMBL23174983 0.76 GABRA1 (0.44) GABRA1GABRB2POLBXDHMEN1
SCHEMBL8730439 0.75 GABRA1 (0.47) GABRA1GABRB2POLBXDHALDH1A1
SCHEMBL1908071 0.74 ALDH1A1 (0.52) GABRA1GABRB2POLBALDH1A1MEN1

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-2697277-B1 PU COMPOSITIONS CONTAINING COMPLEXED CATALYSTS HENKEL AG & CO KGAA (DE) 2017-02-01 EP disclosed
US-9422388-B2 PU compositions containing complexed catalysts HENKEL AG & CO. KGAA (DE) 2016-08-23 US disclosed
CN-103476818-B The PU composition that contains complex catalyst HENKEL AG & CO.KGAA (DE) 2016-05-25 CN disclosed
EP-2697277-A1 PU COMPOSITIONS CONTAINING COMPLEXED CATALYSTS Henkel AG&Co. KGAA (DE) 2014-02-19 EP disclosed
CN-103476818-A PU compositions containing complexed catalysts HENKEL AG & CO KGAA 2013-12-25 CN disclosed
US-20130190447-A1 PU COMPOSITIONS CONTAINING COMPLEXED CATALYSTS HENKEL AG & CO. KGAA (DE) 2013-07-25 US disclosed
WO-2012139940-A1 PU COMPOSITIONS CONTAINING COMPLEXED CATALYSTS HENKEL AG & CO. KGAA (DE) 2012-10-18 WO disclosed