SCHEMBL10690727

SCHEMBL10690727

CCOC(=O)CCCCC(O)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.56
ALOX5 P09917 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 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
SCHEMBL711239 0.88 CYP3A4 (0.52) ALOX5CYP4F2CYP4A11ALDH1A1CYP3A4
SCHEMBL10693022 0.87 LTA4H (0.54) LTA4HALOX5CYP4F2CYP4A11ALDH1A1
SCHEMBL27466587 0.84 CYP3A4 (0.54) ALOX5CYP4F2CYP4A11ALDH1A1CYP3A4
SCHEMBL2512047 0.80 CYP3A4 (0.49) CYP4F2CYP4A11ALDH1A1CYP3A4CYP2D6
SCHEMBL10649974 0.78 PTGER2 (0.48) ALDH1A1PPARGPPARA
SCHEMBL6138915 0.77 TSHR (0.44) CYP4F2CYP4A11ALDH1A1PPARGPPARA
SCHEMBL2773061 0.77 CYP4F2 (0.68) LTA4HALOX5CYP4F2CYP4A11
SCHEMBL5726907 0.77 ALDH1A1 (0.53) LTA4HALOX5CYP4F2CYP4A11ALDH1A1
SCHEMBL11088418 0.76 CYP3A4 (0.47) LTA4HCYP4F2CYP4A11ALDH1A1CYP3A4
Phenyl Ethanol SCHEMBL15170493 0.76 CYP3A4 (0.54) ALOX5CYP4F2CYP4A11ALDH1A1CYP3A4

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