SCHEMBL10698768

SCHEMBL10698768

CCCc1c(OCCCS(=O)(=O)c2ccc(C(O)CCc3nnn[nH]3)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 7/20 0.56
CYSLTR1 Q9Y271 7/20 0.56
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX5 P09917 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GRM2 Q14416 10/20 0.45
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL10698763 0.86 CYSLTR2 (0.72) CYSLTR2CYSLTR1LMNAMEN1GLA
SCHEMBL9733582 0.85 CYSLTR2 (0.65) CYSLTR2CYSLTR1LMNAMEN1GLA
SCHEMBL9734563 0.83 CYSLTR2 (0.73) CYSLTR2CYSLTR1LMNAGRM2PPARG
SCHEMBL9734313 0.83 CYSLTR2 (0.72) CYSLTR2CYSLTR1LMNAGRM2PPARG
SCHEMBL10680378 0.83 CYSLTR2 (0.62) CYSLTR2CYSLTR1LMNAMEN1GLA
SCHEMBL9734317 0.83 CYSLTR2 (0.64) CYSLTR2CYSLTR1LMNAMEN1GLA
SCHEMBL10693436 0.81 CYSLTR2 (0.63) CYSLTR2CYSLTR1LMNAMEN1GLA
Tomelukast SCHEMBL3944 0.80 CYSLTR2 (0.68) CYSLTR2CYSLTR1LMNAMEN1GLA
SCHEMBL10891172 0.80 CYSLTR2 (0.69) CYSLTR2CYSLTR1LMNAGRM2PPARG
SCHEMBL10687786 0.79 CYSLTR2 (0.67) CYSLTR2CYSLTR1LMNAMEN1GLA

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
EP-0252639-A1 Leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1988-01-13 EP disclosed