SCHEMBL9513652

SCHEMBL9513652

CCCc1c(OCCCOc2ccc(Cl)cc2)ccc2c1OC(CCC(=O)OCC)(CCC(=O)OCC)CC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 12/20 0.43
LTB4R2 Q9NPC1 12/20 0.43
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
ABCB11 O95342 1/20 0.40
MAPK1 P28482 1/20 0.40
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
PPARD Q03181 2/20 0.38
BRD4 O60885 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
BLM P54132 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL9514454 0.92 LTB4R (0.43) LTB4RLTB4R2LMNAMAPTPPARG
SCHEMBL9515360 0.92 LTB4R (0.43) LTB4RLTB4R2LMNAMAPTPPARG
SCHEMBL9515326 0.91 LTB4R (0.43) LTB4RLTB4R2PPARGPPARAPPARD
SCHEMBL9514473 0.91 LTB4R (0.51) LTB4RLTB4R2LMNAMAPTPPARG
SCHEMBL9515385 0.89 LTB4R (0.41) LTB4RLTB4R2LMNAMAPTPPARG
SCHEMBL9515370 0.88 LTB4R (0.51) LTB4RLTB4R2KDM4EALDH1A1HPGD
SCHEMBL9513132 0.88 LTB4R (0.51) LTB4RLTB4R2KDM4EALDH1A1HPGD
SCHEMBL9513714 0.88 LTB4R (0.51) LTB4RLTB4R2KDM4EALDH1A1HPGD
SCHEMBL9513208 0.88 LTB4R (0.43) LTB4RLTB4R2PPARGPPARAPPARD
SCHEMBL9513671 0.86 LTB4R (0.41) LTB4RLTB4R2MAPK1KDM4EALDH1A1

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