SCHEMBL9507048

SCHEMBL9507048

O=C(O)c1ccc(OCCCCCCc2ccc(O)c(O)c2)cc1O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.60
LCK P06239 1/20 0.52
IGF1R P08069 4/20 0.50
ALOX15 P16050 4/20 0.50
KAT8 Q9H7Z6 2/20 0.50
CNR1 P21554 1/20 0.48
MAOB P27338 3/20 0.46
PPARD Q03181 1/20 0.46
YWHAG P61981 1/20 0.46
APP P05067 1/20 0.46
ACHE P22303 1/20 0.45
SGMS1 Q86VZ5 1/20 0.45
SGMS2 Q8NHU3 1/20 0.45

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
SCHEMBL9507025 0.91 LCK (0.61) PPARALCKIGF1RALOX15KAT8
SCHEMBL9557961 0.90 PPARA (0.54) PPARAKAT8MAOBPPARD
SCHEMBL9558448 0.88 PPARA (0.52) PPARAKAT8MAOBPPARD
SCHEMBL9506788 0.84 PLA2G4B (0.60) IGF1RALOX15
SCHEMBL8063478 0.82 PPARA (0.69) PPARAKAT8
SCHEMBL9304111 0.82 PPARA (0.69) PPARAKAT8
SCHEMBL10412008 0.82 CYSLTR1 (0.54) LCKIGF1RALOX15YWHAGAPP
SCHEMBL9506806 0.82 KMT2A (0.56) IGF1RALOX15ACHESGMS1SGMS2
SCHEMBL9558352 0.81 PPARA (0.47) PPARAMAOBPPARD
SCHEMBL9304221 0.81 PPARA (0.67) PPARAKAT8PPARD

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 4 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-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
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