SCHEMBL9512237

SCHEMBL9512237

CCCc1c(OCCCOc2ccccc2)ccc2c1OC(CCC(=O)OC)(CCC(=O)OC)CC2=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 12/20 0.47
LTB4R2 Q9NPC1 12/20 0.47
PPARD Q03181 8/20 0.42
PPARG P37231 7/20 0.42
PPARA Q07869 7/20 0.42
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL9513179 0.93 LTB4R (0.53) LTB4RLTB4R2PPARDPPARGPPARA
SCHEMBL9515544 0.91 PPARD (0.44) LTB4RLTB4R2PPARDPPARGPPARA
SCHEMBL9514446 0.88 LTB4R (0.42) LTB4RLTB4R2PPARDPPARGPPARA
SCHEMBL9515500 0.87 LTB4R (0.42) LTB4RLTB4R2
SCHEMBL9513346 0.86 LTB4R (0.52) LTB4RLTB4R2PPARDPPARGPPARA
SCHEMBL9514473 0.85 LTB4R (0.51) LTB4RLTB4R2PPARDPPARGPPARA
SCHEMBL9514474 0.85 LTB4R (0.51) LTB4RLTB4R2PPARDPPARGPPARA
SCHEMBL9512248 0.84 LTB4R (0.51) LTB4RLTB4R2PPARDPPARGPPARA
SCHEMBL9515360 0.84 LTB4R (0.43) LTB4RLTB4R2PPARDPPARGPPARA
SCHEMBL9513652 0.84 LTB4R (0.43) LTB4RLTB4R2PPARDPPARGPPARA

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