SCHEMBL10690751

SCHEMBL10690751

CCCc1c(OCCCCCCCC(=O)O)ccc(C(C)=O)c1O

nearest known ligand 0.87

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 18/20 0.87
CYSLTR1 Q9Y271 18/20 0.87
LMNA P02545 1/20 0.69
CYP1A2 P05177 1/20 0.69
MAPT P10636 1/20 0.69
CYP2C9 P11712 1/20 0.69
NFKB1 P19838 1/20 0.69
PPARG P37231 1/20 0.69
BLM P54132 1/20 0.69
PPARD Q03181 1/20 0.69
PPARA Q07869 1/20 0.69
GRM2 Q14416 1/20 0.69

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
SCHEMBL10690991 1.00 CYSLTR2 (0.87) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10695084 1.00 CYSLTR2 (0.87) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL9302516 1.00 CYSLTR2 (0.87) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10693685 1.00 CYSLTR2 (0.87) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10690954 1.00 CYSLTR2 (0.87) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL9301387 0.99 CYSLTR2 (0.85) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL9301519 0.95 CYSLTR2 (0.86) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10690416 0.93 CYSLTR2 (1.00) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL9622375 0.92 CYSLTR2 (0.98) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10687686 0.92 CYSLTR2 (1.00) CYSLTR2CYSLTR1LMNACYP1A2MAPT

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 6 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-4672066-A TREATMENT OF ALLERGIC CONDITIONS AND CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1987-06-09 US 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
US-4628115-A LEUKOTRIENE ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1986-12-09 US disclosed
EP-0108592-A1 Leukotriene antagonists ELI LILLY AND COMPANY (US) 1984-05-16 EP disclosed