SCHEMBL6932399

SCHEMBL6932399

CCCc1c(OCCCCl)ccc(C(C)=O)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.68
PPARD Q03181 2/20 0.68
PPARA Q07869 2/20 0.68
LMNA P02545 2/20 0.68
GRM2 Q14416 2/20 0.68
CYP1A2 P05177 1/20 0.68
MAPT P10636 1/20 0.68
CYP2C9 P11712 1/20 0.68
NFKB1 P19838 1/20 0.68
BLM P54132 1/20 0.68
CYSLTR2 Q9NS75 16/20 0.67
CYSLTR1 Q9Y271 16/20 0.67
MEN1 O00255 1/20 0.63
GLA P06280 1/20 0.63
CYP3A4 P08684 1/20 0.63
ALOX5 P09917 1/20 0.63
ALOX15 P16050 1/20 0.63
TSHR P16473 1/20 0.63
PTGS1 P23219 1/20 0.63
PTGS2 P35354 1/20 0.63

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
SCHEMBL6934984 0.94 PPARG (0.65) PPARGPPARDPPARALMNAGRM2
SCHEMBL6247680 0.92 PPARG (0.75) PPARGPPARDPPARALMNAGRM2
SCHEMBL10702435 0.90 GRM2 (0.73) PPARGPPARDPPARALMNAGRM2
SCHEMBL11279092 0.90 PPARG (0.69) PPARGPPARDPPARALMNAGRM2
SCHEMBL10522351 0.89 CYSLTR2 (0.72) PPARGPPARDPPARALMNAGRM2
SCHEMBL10505686 0.89 PPARG (0.68) PPARGPPARDPPARALMNAGRM2
Bicarbonate SCHEMBL10790750 0.89 PPARG (0.76) PPARGPPARDPPARALMNAGRM2
SCHEMBL10815053 0.88 PPARG (0.67) PPARGPPARDPPARALMNAGRM2
SCHEMBL11046915 0.88 PPARG (0.74) PPARGPPARDPPARALMNAGRM2
SCHEMBL4343526 0.88 PPARG (0.67) PPARGPPARDPPARALMNAGRM2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4202155-A None JP disclosed
JP-4202155-A None JP disclosed
EP-1086079-B1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA A S (CZ) 2003-05-07 EP disclosed
US-6303612-B1 USED AS ANTIINFLAMMATORY AND/OR ANTIASTHMATIC AGENTS LECIVA, A.S. (CZ) 2001-10-16 US disclosed
EP-1086079-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS Leciva, A.S. (CZ) 2001-03-28 EP disclosed
WO-1999067208-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA, A.S. (CZ) 1999-12-29 WO disclosed
US-5559134-A Leukotriene-B4 antagonists, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1996-09-24 US disclosed
EP-0181779-B1 Heterocyclic compounds, their production, and medicaments containing them YAMANOUCHI PHARMA CO LTD (JP) 1994-03-16 EP disclosed
US-5258395-A Slow reacting substance of anaphylaxis antagonists YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-11-02 US disclosed
US-5177215-A Heterocyclic compounds and pharmaceutical use thereof YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-01-05 US disclosed
US-4889871-A ANTIINFLAMMATORY AGENTS; SELECTIVE LEUKOTRIENE ANTAGONISTS G. D. SEARLE & CO. (US) 1989-12-26 US disclosed
US-4855310-A Thiadiazole compounds as antagonists of SRS-A YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-08-08 US disclosed
EP-0292977-A1 Alkoxy-substituted dihydrobenzopyran-2-carboxylate derivatives G.D. Searle & Co. (US) 1988-11-30 EP disclosed
US-4714774-A ANTIASTHMATIC OR ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-12-22 US disclosed
EP-0186440-A2 Method for producing benzoic acid derivatives Takeda Chemical Industries, Ltd. (JP) 1986-07-02 EP disclosed
EP-0181779-A1 Heterocyclic compounds, their production, and medicaments containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1986-05-21 EP disclosed
EP-0181125-A2 Benzoic acid derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1986-05-14 EP disclosed
EP-0180416-A2 Benzoic acid analogues and their production Takeda Chemical Industries, Ltd. (JP) 1986-05-07 EP disclosed
EP-0028063-B1 PHENOL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1984-06-13 EP disclosed
EP-0028063-A1 Phenol derivatives, processes for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1981-05-06 EP disclosed