SCHEMBL9515544

SCHEMBL9515544

CCCc1c(OCCCOc2ccc(OC(C)=O)cc2)ccc2c1OC(CCC(=O)OC)(CCC(=O)OC)CC2=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.44
PPARG P37231 5/20 0.44
PPARA Q07869 5/20 0.44
LTB4R Q15722 12/20 0.44
LTB4R2 Q9NPC1 12/20 0.44
CYP1A2 P05177 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
BLM P54132 1/20 0.38
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL9512237 0.91 LTB4R (0.47) PPARDPPARGPPARALTB4RLTB4R2
SCHEMBL9515360 0.84 LTB4R (0.43) PPARDPPARGPPARALTB4RLTB4R2
SCHEMBL9513652 0.84 LTB4R (0.43) PPARDPPARGPPARALTB4RLTB4R2
SCHEMBL9514454 0.84 LTB4R (0.43) PPARDPPARGPPARALTB4RLTB4R2
SCHEMBL9513346 0.83 LTB4R (0.52) PPARDPPARGPPARALTB4RLTB4R2
SCHEMBL9513179 0.83 LTB4R (0.53) PPARDPPARGPPARALTB4RLTB4R2
SCHEMBL9514473 0.83 LTB4R (0.51) PPARDPPARGPPARALTB4RLTB4R2
SCHEMBL9514474 0.83 LTB4R (0.51) PPARDPPARGPPARALTB4RLTB4R2
SCHEMBL9515385 0.81 LTB4R (0.41) PPARDPPARGPPARALTB4RLTB4R2
SCHEMBL9515326 0.80 LTB4R (0.43) PPARDPPARGPPARALTB4RLTB4R2

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