SCHEMBL4353150

SCHEMBL4353150

CCCC(N)OC(=O)C=CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.52
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36
GRIK1 P39086 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35

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
SCHEMBL4353141 0.92 HCAR2 (0.39) HCAR2GRIK1SLC1A3SLC1A2SLC1A1
SCHEMBL27991557 0.92 HCAR2 (0.39) HCAR2GRIK1SLC1A3SLC1A2SLC1A1
SCHEMBL28180758 0.81 ATM (0.45) HCAR2GRIK1SLC1A3SLC1A2SLC1A1
SCHEMBL9328098 0.79 HCAR2 (0.59) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL3482655 0.79 HCAR2 (0.59) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL5336276 0.79 HCAR2 (0.53) HCAR2ACHEBACE1CHRM1AKR1A1
SCHEMBL11654063 0.79 HCAR2 (0.53) HCAR2ACHEBACE1CHRM1AKR1A1
SCHEMBL6740812 0.79 HCAR2 (0.59) HCAR2GABRPGABRDGABRA1GABRB1
SCHEMBL10396797 0.79 HCAR2 (0.53) HCAR2ACHEBACE1CHRM1AKR1A1
SCHEMBL448455 0.78 HCAR2 (0.52) HCAR2ACHEBACE1CHRM1AKR1A1

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-2083004-A2 Electron donors, electron acceptors and adhesion promoters containing disulfide Henkel AG & Co. KGaA (DE) 2009-07-29 EP disclosed
EP-1490331-A2 ELECTRON DONORS, ELECTRON ACCEPTORS AND ADHESION PROMOTERS CONTAINING DISULFIDE National Starch and Chemical Investment Holding Corporation (US) 2004-12-29 EP disclosed
US-6803406-B2 CURABLE COMPOUND OR POLYMERS; USEFUL FOR FABRICATION OF SEMICONDUCTOR PACKAGING AND ELECTRONICS NATIONAL STARCH AND CHEMICAL INVESTMNET HOLDING CORPORATION 2004-10-12 US disclosed
WO-2003084924-A2 ELECTRON DONORS, ELECTRON ACCEPTORS AND ADHESION PROMOTERS CONTAINING DISULFIDE NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2003-10-16 WO disclosed
US-20030191270-A1 Electron donors, electron acceptors and adhesion promoters containing disulfide HENKEL AG & CO. KGAA (DE) 2003-10-09 US disclosed