SCHEMBL9506754

SCHEMBL9506754

CCCc1c(OCCCCCC(=O)c2c(C)c(C)c(O)c(O)c2C)ccc(C(=O)O)c1O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.55
CYSLTR1 Q9Y271 9/20 0.55
GRM2 Q14416 1/20 0.53
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
PPARG P37231 1/20 0.47
BLM P54132 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL9509072 0.90 CYSLTR2 (0.54) CYSLTR2CYSLTR1GRM2
SCHEMBL9508064 0.85 CYSLTR2 (0.53) CYSLTR2CYSLTR1GRM2
SCHEMBL9579635 0.81 CYSLTR2 (0.51) CYSLTR2CYSLTR1GRM2LMNAPPARG
SCHEMBL9506662 0.81 CYSLTR2 (0.53) CYSLTR2CYSLTR1GRM2
SCHEMBL9509156 0.81 CYSLTR2 (0.52) CYSLTR2CYSLTR1GRM2LMNACYP1A2
SCHEMBL9508793 0.80 GRM2 (0.57) CYSLTR2CYSLTR1GRM2LMNACYP1A2
SCHEMBL9510563 0.80 GRM2 (0.57) CYSLTR2CYSLTR1GRM2LMNACYP1A2
SCHEMBL9510539 0.79 CYSLTR2 (0.56) CYSLTR2CYSLTR1GRM2LMNACYP1A2
SCHEMBL9510405 0.79 GRM2 (0.56) CYSLTR2CYSLTR1GRM2
SCHEMBL9509087 0.79 CYSLTR2 (0.53) CYSLTR2CYSLTR1GRM2LMNACYP1A2

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-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
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