SCHEMBL9514396

SCHEMBL9514396

CCCc1c(OCCCOc2ccc([N+](=O)[O-])cc2)ccc2c1OC(CCC(=O)O)(CCC(=O)O)CC2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 12/20 0.48
LTB4R2 Q9NPC1 12/20 0.48
MAPT P10636 4/20 0.39
PPARG P37231 3/20 0.39
PPARD Q03181 3/20 0.39
PPARA Q07869 3/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
BLM P54132 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9515385 0.91 LTB4R (0.41) LTB4RLTB4R2MAPTPPARGPPARD
SCHEMBL9513346 0.89 LTB4R (0.52) LTB4RLTB4R2MAPTPPARGPPARD
SCHEMBL9513179 0.89 LTB4R (0.53) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL9514474 0.88 LTB4R (0.51) LTB4RLTB4R2MAPTPPARGPPARD
SCHEMBL9514473 0.88 LTB4R (0.51) LTB4RLTB4R2MAPTPPARGPPARD
SCHEMBL9513637 0.84 LTB4R (0.51) LTB4RLTB4R2PPARGPPARACYSLTR2
SCHEMBL9512248 0.84 LTB4R (0.51) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL9513644 0.84 LTB4R (0.61) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL9515357 0.84 LTB4R (0.61) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL9514458 0.84 LTB4R (0.61) LTB4RLTB4R2CYSLTR2CYSLTR1

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