SCHEMBL9506680

SCHEMBL9506680

CCCc1c(OCCCCCCc2cccc(OC)c2OC)ccc(C(=O)O)c1O

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 7/20 0.52
CYSLTR1 Q9Y271 7/20 0.52
GRM2 Q14416 1/20 0.51
LTB4R Q15722 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
PPARA Q07869 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX5 P09917 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL9579712 0.91 CYSLTR2 (0.48) CYSLTR2CYSLTR1GRM2LTB4RLTB4R2
SCHEMBL9579688 0.91 CYSLTR2 (0.58) CYSLTR2CYSLTR1GRM2PPARAMEN1
SCHEMBL9510453 0.87 CYSLTR2 (0.51) CYSLTR2CYSLTR1GRM2PPARAMEN1
SCHEMBL9506821 0.86 CYSLTR2 (0.52) CYSLTR2CYSLTR1GRM2PPARAMEN1
SCHEMBL9506867 0.85 GRM2 (0.54) CYSLTR2CYSLTR1GRM2LTB4RLTB4R2
SCHEMBL9508106 0.85 GRM2 (0.54) CYSLTR2CYSLTR1GRM2LTB4RLTB4R2
SCHEMBL7777769 0.85 GRM2 (0.54) CYSLTR2CYSLTR1GRM2LTB4RLTB4R2
SCHEMBL9506699 0.84 GRM2 (0.55) CYSLTR2CYSLTR1GRM2PPARAMEN1
SCHEMBL9508043 0.84 CYSLTR2 (0.52) CYSLTR2CYSLTR1GRM2MEN1LMNA
SCHEMBL9510383 0.84 CYSLTR2 (0.50) CYSLTR2CYSLTR1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0310126-B1 DERIVATIVES OF PYROCATECHOL-CARBOXYLIC ACID, THEIR PREPARATION AND USE AS ACTIVE INGREDIENTS IN MEDICINES F. HOFFMANN-LA ROCHE AG (CH) 1993-08-18 EP claimed
US-5191108-A Lipoxygenase inhibitors, antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1993-03-02 US claimed
EP-0310126-A2 Derivatives of pyrocatechol-carboxylic acid, their preparation and use as active ingredients in medicines F. HOFFMANN-LA ROCHE AG (CH) 1989-04-05 EP claimed
EP-0310126-B1 DERIVATIVES OF PYROCATECHOL-CARBOXYLIC ACID, THEIR PREPARATION AND USE AS ACTIVE INGREDIENTS IN MEDICINES F. HOFFMANN-LA ROCHE AG (CH) 1993-08-18 EP disclosed
US-5191108-A Lipoxygenase inhibitors, antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1993-03-02 US disclosed
US-5025036-A Antiinflammatory agents, gastrointestinal, cardiovascular and skin disorders HOFFMANN-LA ROCHE INC. (US) 1991-06-18 US disclosed
EP-0310126-A2 Derivatives of pyrocatechol-carboxylic acid, their preparation and use as active ingredients in medicines F. HOFFMANN-LA ROCHE AG (CH) 1989-04-05 EP disclosed