SCHEMBL8899898

SCHEMBL8899898

COc1cc(C(=O)O)ccc1Cn1ccc(=O)c2c(NC(=O)CC3CCCC3)cccc21

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 7/20 0.53
CYSLTR1 Q9Y271 7/20 0.53
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
P2RX7 Q99572 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 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
SCHEMBL8898796 0.93 P2RX7 (0.46) CYSLTR2CYSLTR1P2RX7KDM4EALDH1A1
SCHEMBL8901046 0.83 CYSLTR2 (0.64) CYSLTR2CYSLTR1EPHX2NR1H4
SCHEMBL8998153 0.80 EPHX2 (0.66) CYSLTR2CYSLTR1EPHX2NR1H4
SCHEMBL10368754 0.79 EPHX2 (0.65) CYSLTR2CYSLTR1EPHX2NR1H4
SCHEMBL9479238 0.75 AAK1 (0.47) CYSLTR2CYSLTR1EPHX2NR1H4KDM4E
SCHEMBL8951214 0.73 CYSLTR2 (0.62) CYSLTR2CYSLTR1EPHX2NR1H4
SCHEMBL8998286 0.73 EPHX2 (0.56) CYSLTR2CYSLTR1EPHX2NR1H4KDM4E
SCHEMBL10368401 0.73 CYSLTR2 (0.69) CYSLTR2CYSLTR1
SCHEMBL9478047 0.72 AGTR1 (0.47) CYSLTR2CYSLTR1EPHX2NR1H4
SCHEMBL24812989 0.72 ALDH1A1 (0.52) CYSLTR2CYSLTR1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997005114-A1 QUINOLONE SULFONIMIDES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-02-13 WO disclosed