SCHEMBL9637415

SCHEMBL9637415

CCCc1c(COc2ccc(C(=O)CC#N)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 17/20 0.59
CYSLTR1 Q9Y271 17/20 0.59
CTSD P07339 1/20 0.52
GRM2 Q14416 1/20 0.50
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
PPARG P37231 1/20 0.45
BLM P54132 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL9638098 0.86 CYSLTR2 (0.54) CYSLTR2CYSLTR1CTSDGRM2
SCHEMBL9175712 0.85 CYSLTR2 (0.64) CYSLTR2CYSLTR1CTSDGRM2LMNA
SCHEMBL9177346 0.85 CYSLTR2 (0.63) CYSLTR2CYSLTR1CTSD
SCHEMBL9173547 0.84 GRM2 (0.68) CYSLTR2CYSLTR1CTSDGRM2LMNA
SCHEMBL9177294 0.84 CYSLTR2 (0.63) CYSLTR2CYSLTR1CTSD
SCHEMBL9638148 0.84 CYSLTR2 (0.60) CYSLTR2CYSLTR1CTSDGRM2LMNA
SCHEMBL9638144 0.82 CYSLTR2 (0.58) CYSLTR2CYSLTR1CTSDGRM2LMNA
SCHEMBL9637077 0.82 CYSLTR2 (0.58) CYSLTR2CYSLTR1CTSDGRM2LMNA
SCHEMBL9176134 0.82 CYSLTR2 (0.57) CYSLTR2CYSLTR1CTSD
SCHEMBL9179128 0.81 CYSLTR2 (0.62) CYSLTR2CYSLTR1CTSDGRM2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288190-B1 IMPROVEMENTS IN OR RELATING TO LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1992-07-08 EP disclosed
US-4874777-A ANTIASTHMATICS ELI LILLY AND COMPANY (US) 1989-10-17 US disclosed
EP-0288190-A1 Improvements in or relating to leukotriene antagonists ELI LILLY AND COMPANY (US) 1988-10-26 EP disclosed