SCHEMBL9847398

SCHEMBL9847398

CC(C)c1cccc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 12/20 0.67
GPBAR1 Q8TDU6 8/20 0.67
CYSLTR2 Q9NS75 7/20 0.67
MAPK1 P28482 2/20 0.67
ALOX5 P09917 2/20 0.67
TP53 P04637 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
TSHR P16473 1/20 0.67
NFKB1 P19838 1/20 0.67
CYP2C19 P33261 1/20 0.67
HIF1A Q16665 1/20 0.67
MEN1 O00255 1/20 0.67
GMNN O75496 1/20 0.67
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
HPGD P15428 1/20 0.67
PTGS1 P23219 1/20 0.67
PTGS2 P35354 1/20 0.67

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
SCHEMBL8870891 0.90 CYSLTR1 (0.71) CYSLTR1GPBAR1CYSLTR2MAPK1ALOX5
Hydrochloric Acid SCHEMBL9688757 0.86 CYSLTR1 (0.61) CYSLTR1GPBAR1CYSLTR2MAPK1ALOX5
SCHEMBL9081248 0.85 CYSLTR1 (0.70) CYSLTR1GPBAR1CYSLTR2MAPK1ALOX5
SCHEMBL25214519 0.84 CYSLTR1 (0.79) CYSLTR1GPBAR1CYSLTR2
SCHEMBL30443236 0.84 CYSLTR1 (0.79) CYSLTR1GPBAR1CYSLTR2
Hydrochloric Acid SCHEMBL9689596 0.83 CYSLTR1 (0.63) CYSLTR1GPBAR1CYSLTR2MAPK1ALOX5
SCHEMBL10512475 0.82 PDE10A (0.77) CYSLTR1GPBAR1CYSLTR2CYP1A2PDE10A
SCHEMBL10635186 0.82 CYSLTR1 (0.64) CYSLTR1GPBAR1CYSLTR2MAPK1ALOX5
SCHEMBL10639069 0.82 CYSLTR1 (0.68) CYSLTR1GPBAR1CYSLTR2MAPK1ALOX5
SCHEMBL10769450 0.82 CYSLTR1 (0.94) CYSLTR1GPBAR1CYSLTR2MAPK1ALOX5

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-0414078-A2 Disubstituted (quinolin-2-yl-methoxy)-phenylacetic acid derivatives BAYER AG (DE) 1991-02-27 EP disclosed
EP-0344519-A1 Substituted 4-(quinolin-2-yl-methoxy)phenyl-acetic-acid derivatives BAYER AG (DE) 1989-12-06 EP disclosed