SCHEMBL10691999

SCHEMBL10691999

CCCc1c(OC(CCCCC(=O)OCC)c2ccc(Cc3ccccc3)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 13/20 0.42
CYSLTR1 Q9Y271 13/20 0.42
MAPT P10636 2/20 0.40
CYP2C9 P11712 2/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
LTA4H P09960 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
NFKB1 P19838 1/20 0.40
BLM P54132 1/20 0.40
GRM2 Q14416 1/20 0.40
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL10687692 0.91 CYSLTR2 (0.52) CYSLTR2CYSLTR1MAPTCYP2C9PPARG
SCHEMBL10691238 0.83 CYSLTR2 (0.57) CYSLTR2CYSLTR1MAPTCYP2C9PPARG
SCHEMBL10692952 0.82 CYSLTR2 (0.53) CYSLTR2CYSLTR1MAPTCYP2C9PPARG
SCHEMBL10690867 0.75 CYSLTR2 (0.66) CYSLTR2CYSLTR1MAPTCYP2C9PPARG
SCHEMBL9383779 0.74 CYSLTR2 (0.67) CYSLTR2CYSLTR1MAPTCYP2C9PPARG
SCHEMBL10690727 0.72 LTA4H (0.56) PPARGPPARALTA4HCYP2C19
SCHEMBL10691418 0.71 CYSLTR2 (0.61) CYSLTR2CYSLTR1MAPTCYP2C9PPARG
SCHEMBL10693022 0.71 LTA4H (0.54) LTA4HCYP2C19
SCHEMBL10744247 0.71 CYSLTR2 (0.63) CYSLTR2CYSLTR1MAPTCYP2C9PPARG
SCHEMBL10692903 0.70 CYSLTR2 (0.60) CYSLTR2CYSLTR1MAPTCYP2C9PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4769482-A Cyano and thiocyano intermediates ELI LILLY AND COMPANY (US) 1988-09-06 US disclosed
EP-0108592-B1 LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1987-09-30 EP disclosed
US-4661505-A 4-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY) ALKANOIC ACIDS, TETRAZOLES, AND DERIVATIVES ELI LILLY AND COMPANY (US) 1987-04-28 US disclosed
EP-0108592-A1 Leukotriene antagonists ELI LILLY AND COMPANY (US) 1984-05-16 EP disclosed