SCHEMBL9622384

SCHEMBL9622384

CCCc1c(OCCCCCOc2c(C(C)=O)ccc(OCC(=O)O)c2CCC)ccc(C(C)=O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 17/20 1.00
CYSLTR1 Q9Y271 17/20 1.00
LMNA P02545 2/20 0.72
PPARG P37231 2/20 0.72
PPARD Q03181 2/20 0.72
PPARA Q07869 2/20 0.72
CYP1A2 P05177 1/20 0.72
MAPT P10636 1/20 0.72
CYP2C9 P11712 1/20 0.72
NFKB1 P19838 1/20 0.72
BLM P54132 1/20 0.72
GRM2 Q14416 1/20 0.63
MEN1 O00255 1/20 0.61
GLA P06280 1/20 0.61
CYP3A4 P08684 1/20 0.61
ALOX5 P09917 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
PTGS1 P23219 1/20 0.61
PTGS2 P35354 1/20 0.61

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
SCHEMBL10689725 0.97 CYSLTR2 (1.00) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL10687362 0.96 CYSLTR2 (1.00) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL10687210 0.94 CYSLTR2 (1.00) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL9622277 0.93 CYSLTR2 (0.93) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL10687758 0.92 CYSLTR2 (1.00) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL10690096 0.92 CYSLTR2 (1.00) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL10684678 0.92 CYSLTR2 (1.00) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL10687686 0.91 CYSLTR2 (1.00) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL10690416 0.90 CYSLTR2 (1.00) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL9623054 0.90 CYSLTR2 (0.98) CYSLTR2CYSLTR1LMNAPPARGPPARD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0306959-B1 PHENOXYALKYLCARBOXYLIC ACID DERIVATIVES AND PROCESS FOR THEIR PREPARATIONS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-01-02 EP disclosed
US-5023364-A Leukotriene antagonists, antiallergens KYORIN PHARMACEUTICAL CO., LTD. (JP) 1991-06-11 US disclosed
EP-0306959-A1 Phenoxyalkylcarboxylic acid derivatives and process for their preparations KYORIN PHARMACEUTICAL CO., LTD. (JP) 1989-03-15 EP disclosed
US-4782176-A ANTIALLERGY HOFFMANN-LA ROCHE INC. (US) 1988-11-01 US disclosed
US-4507498-A Phenoxycarboxylic acids HOFFMANN-LA ROCHE INC. (US) 1985-03-26 US disclosed