SCHEMBL7290692

SCHEMBL7290692

CCOC(=O)c1c[nH]c2cc(OCC)c(OCC)cc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.64
GABRB2 P47870 4/20 0.64
GABRB1 P18505 3/20 0.63
GABRA3 P34903 3/20 0.63
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CLEC4M Q9H2X3 1/20 0.53
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL7291362 0.95 GABRA1 (0.59) GABRA1GABRB2GABRB1GABRA3CYP1A2
SCHEMBL7292036 0.95 GABRA1 (0.59) GABRA1GABRB2GABRB1GABRA3CYP1A2
Decoquinate SCHEMBL43854 0.91 GABRA1 (0.55) GABRA1GABRB2GABRB1GABRA3CYP1A2
SCHEMBL2909775 0.90 GABRA1 (0.65) GABRA1GABRB2GABRB1GABRA3CYP1A2
SCHEMBL2912128 0.90 GABRA1 (0.65) GABRA1GABRB2GABRB1GABRA3CYP1A2
SCHEMBL5291640 0.89 GABRA1 (0.64) GABRA1GABRB2GABRB1GABRA3CYP1A2
Buquinolate SCHEMBL29526142 0.89 GABRA1 (0.58) GABRA1GABRB2GABRB1GABRA3CYP1A2
Cyproquinate SCHEMBL27816272 0.87 GABRA1 (0.56) GABRA1GABRB2GABRB1GABRA3CYP1A2
SCHEMBL28289153 0.85 GABRA1 (0.69) GABRA1GABRB2GABRB1GABRA3CYP1A2
SCHEMBL3895723 0.84 GABRA1 (0.62) GABRA1GABRB2GABRB1GABRA3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0343574-B1 4(1H)-quinolone derivatives KIRIN BREWERY (JP) 1994-07-27 EP disclosed
US-5081121-A Cardiotonic agents KIRIN BEER KABUSHIKI KAISHA (JP) 1992-01-14 US disclosed