SCHEMBL9515326

SCHEMBL9515326

CCCc1c(OCCCOc2ccc(Cl)c(Cl)c2)ccc2c1OC(CCC(=O)OCC)(CCC(=O)OCC)CC2=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 11/20 0.43
LTB4R2 Q9NPC1 11/20 0.43
BRD4 O60885 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 5/20 0.37
PPARD Q03181 1/20 0.35

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
SCHEMBL9513637 0.91 LTB4R (0.51) LTB4RLTB4R2PPARGPPARA
SCHEMBL9513652 0.91 LTB4R (0.43) LTB4RLTB4R2BRD4KDM4EALDH1A1
SCHEMBL9513208 0.89 LTB4R (0.43) LTB4RLTB4R2BRD4KDM4EALDH1A1
SCHEMBL9514454 0.88 LTB4R (0.43) LTB4RLTB4R2BRD4KDM4EALDH1A1
SCHEMBL9515360 0.88 LTB4R (0.43) LTB4RLTB4R2BRD4KDM4EALDH1A1
SCHEMBL9513671 0.87 LTB4R (0.41) LTB4RLTB4R2KDM4EALDH1A1
SCHEMBL9515370 0.86 LTB4R (0.51) LTB4RLTB4R2KDM4EALDH1A1HPGD
SCHEMBL9513132 0.86 LTB4R (0.51) LTB4RLTB4R2KDM4EALDH1A1HPGD
SCHEMBL9513714 0.86 LTB4R (0.51) LTB4RLTB4R2KDM4EALDH1A1HPGD
SCHEMBL9515385 0.85 LTB4R (0.41) LTB4RLTB4R2ALDH1A1PPARGPPARA

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