SCHEMBL10691277

SCHEMBL10691277

CCCc1cc(C(C)=O)c(O)c(CCC)c1OCCCBr

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.48
▸ PPARA Q07869 3/20 0.48
▸ CYSLTR2 Q9NS75 15/20 0.46
▸ CYSLTR1 Q9Y271 15/20 0.46
▸ LMNA P02545 2/20 0.42
▸ PPARD Q03181 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ GRM2 Q14416 1/20 0.42
▸ LTB4R Q15722 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PTGS1 P23219 1/20 0.42

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
SCHEMBL10691798 0.91 CYSLTR2 (0.50) PPARGPPARACYSLTR2CYSLTR1LMNA
SCHEMBL11027106 0.88 CYSLTR2 (0.46) PPARGPPARACYSLTR2CYSLTR1LMNA
SCHEMBL10687332 0.87 PPARG (0.46) PPARGPPARACYSLTR2CYSLTR1LMNA
SCHEMBL9377031 0.80 MAOB (0.40) PPARGPPARACYSLTR2CYSLTR1LMNA
SCHEMBL10813199 0.79 CYSLTR2 (0.58) PPARGPPARACYSLTR2CYSLTR1LMNA
SCHEMBL4343526 0.77 PPARG (0.67) PPARGPPARACYSLTR2CYSLTR1LMNA
SCHEMBL10689737 0.77 CYSLTR2 (0.80) PPARGPPARACYSLTR2CYSLTR1LMNA
SCHEMBL10690373 0.77 MEN1 (0.53) PPARGPPARACYSLTR2CYSLTR1LMNA
SCHEMBL10955565 0.76 CYSLTR2 (0.74) PPARGPPARACYSLTR2CYSLTR1LMNA
SCHEMBL10743664 0.75 PPARG (0.54) PPARGPPARACYSLTR2CYSLTR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4782176-A ANTIALLERGY HOFFMANN-LA ROCHE INC. (US) 1988-11-01 — — US disclosed
EP-0079637-B1 ANTI-SRS-A CARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL FORMULATION CONTAINING THEM FISONS plc (GB) 1987-01-28 — — EP disclosed
EP-0061800-B1 ANTI SRS-A CARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM FISONS plc (GB) 1985-08-28 — — EP disclosed
US-4518612-A Naphthalene and 2-oxo-benzopyran acids and derivatives and pharamaceutical use thereof FISONS PLC (GB) 1985-05-21 — — US disclosed
US-4507498-A Phenoxycarboxylic acids HOFFMANN-LA ROCHE INC. (US) 1985-03-26 — — US disclosed
US-4474788-A Anti-SRSA quinoline carboxylic acid derivatives FISONS PLC (GB) 1984-10-02 — — US disclosed
US-4424231-A Compounds FISONS LIMITED (GB) 1984-01-03 — — US disclosed
EP-0079637-A1 Anti-srs-a carboxylic acid derivatives, processes for their production, and pharmaceutical formulation containing them FISONS plc (GB) 1983-05-25 — — EP disclosed
EP-0061800-A1 Anti SRS-A carboxylic acid derivatives, processes for their production and pharmaceutical formulations containing them FISONS plc (GB) 1982-10-06 — — EP disclosed
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