SCHEMBL10693022

SCHEMBL10693022

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.54
ALOX5 P09917 1/20 0.45
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 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
SCHEMBL10690727 0.87 LTA4H (0.56) LTA4HALOX5CYP4F2CYP4A11ALDH1A1
SCHEMBL29756083 0.85 CYP3A4 (0.52) ALOX5CYP4F2CYP4A11ALDH1A1CYP3A4
SCHEMBL29756122 0.80 CYP3A4 (0.48) CYP4F2CYP4A11ALDH1A1CYP3A4CYP2D6
SCHEMBL2773061 0.75 CYP4F2 (0.68) LTA4HALOX5CYP4F2CYP4A11
SCHEMBL711239 0.74 CYP3A4 (0.52) ALOX5CYP4F2CYP4A11ALDH1A1CYP3A4
SCHEMBL6328999 0.73 ALOX5 (0.69) LTA4HALOX5CYP4F2CYP4A11ALDH1A1
SCHEMBL28016562 0.73 ALDH1A1 (0.58) LTA4HALOX5CYP4F2CYP4A11ALDH1A1
SCHEMBL1226702 0.73 ALOX5 (0.48) LTA4HALOX5CYP4F2CYP4A11ALDH1A1
SCHEMBL3684923 0.72 ALOX5 (0.68) ALOX5CYP4F2CYP4A11ALDH1A1
SCHEMBL12064833 0.72 ALOX5 (0.72) LTA4HALOX5CYP4F2CYP4A11CYP3A4

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