SCHEMBL9514479

SCHEMBL9514479

CCCc1c(OCCCOc2cccc3c2CCCC3)ccc2c1OC(CCCC(O)CO)(CCCC(O)CO)CC2=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
LTB4R Q15722 14/20 0.38
LTB4R2 Q9NPC1 14/20 0.38
MCL1 Q07820 5/20 0.37
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34

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
SCHEMBL9512286 0.96 PTGES (0.39) PTGESALOX5PPARGPPARALTB4R
SCHEMBL9513226 0.87 LTB4R (0.51) PTGESALOX5PPARGPPARALTB4R
SCHEMBL9512218 0.86 LTB4R (0.38) PTGESALOX5PPARGPPARALTB4R
SCHEMBL9513658 0.86 LTB4R (0.38) PTGESALOX5PPARGPPARALTB4R
SCHEMBL9512485 0.86 LTB4R (0.49) PTGESALOX5PPARGPPARALTB4R
SCHEMBL9512193 0.86 LTB4R (0.40) PTGESALOX5PPARGPPARALTB4R
SCHEMBL9513650 0.85 LTB4R (0.39) PTGESALOX5PPARGPPARALTB4R
SCHEMBL9513804 0.85 LTB4R (0.39) PTGESALOX5PPARGPPARALTB4R
SCHEMBL9512160 0.85 PTGES (0.37) PTGESALOX5PPARGPPARALTB4R
SCHEMBL9514439 0.84 LTB4R (0.42) PTGESALOX5PPARGPPARALTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0342664-B1 2,2-disubstituted benzopyran leukotriene-D4 antagonists SEARLE & CO (US) 1993-12-15 EP disclosed
US-5093353-A 2,2-di-substituted benzopyran leukotriene-D4 antagonists G. D. SEARLE & CO. (US) 1992-03-03 US disclosed
EP-0342664-A2 2,2-disubstituted benzopyran leukotriene-D4 antagonists G.D. Searle & Co. (US) 1989-11-23 EP disclosed