SCHEMBL10691810

SCHEMBL10691810

C=CCc1c(OCCCCCC(=O)O)ccc(C(C)=O)c1O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 17/20 0.63
CYSLTR1 Q9Y271 17/20 0.63
PPARA Q07869 2/20 0.53
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
NFKB1 P19838 1/20 0.49
PPARG P37231 1/20 0.49
BLM P54132 1/20 0.49
PPARD Q03181 1/20 0.49
GRM2 Q14416 1/20 0.49

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
SCHEMBL10920716 0.86 CYSLTR2 (0.50) CYSLTR2CYSLTR1PPARALMNACYP1A2
SCHEMBL10921520 0.85 CYSLTR2 (0.48) CYSLTR2CYSLTR1PPARALMNACYP1A2
SCHEMBL10925330 0.85 CYSLTR2 (0.48) CYSLTR2CYSLTR1PPARALMNACYP1A2
SCHEMBL10921502 0.85 CYSLTR2 (0.52) CYSLTR2CYSLTR1PPARALMNACYP1A2
SCHEMBL10811028 0.85 CYSLTR2 (0.51) CYSLTR2CYSLTR1PPARALMNACYP1A2
SCHEMBL9621096 0.84 PPARG (0.46) CYSLTR2CYSLTR1PPARALMNACYP1A2
SCHEMBL10690954 0.83 CYSLTR2 (0.87) CYSLTR2CYSLTR1PPARALMNACYP1A2
SCHEMBL9302516 0.83 CYSLTR2 (0.87) CYSLTR2CYSLTR1PPARALMNACYP1A2
SCHEMBL10695084 0.83 CYSLTR2 (0.87) CYSLTR2CYSLTR1PPARALMNACYP1A2
SCHEMBL10690991 0.83 CYSLTR2 (0.87) CYSLTR2CYSLTR1PPARALMNACYP1A2

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