SCHEMBL9506806

SCHEMBL9506806

O=C(O)c1cccc(OCCCCCCCCc2ccc(O)c(O)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
PLA2G4B P0C869 3/20 0.54
NR4A2 P43354 4/20 0.52
IGF1R P08069 2/20 0.51
ALOX15 P16050 2/20 0.51
ACHE P22303 1/20 0.51
SGMS1 Q86VZ5 1/20 0.51
SGMS2 Q8NHU3 1/20 0.51
NR1H4 Q96RI1 3/20 0.48
NR4A1 P22736 1/20 0.48
NR4A3 Q92570 1/20 0.48
AKR1C3 P42330 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
SCHEMBL9506788 0.86 PLA2G4B (0.60) PLA2G4BIGF1RALOX15NR1H4
SCHEMBL10412008 0.84 CYSLTR1 (0.54) PLA2G4BIGF1RALOX15NR1H4
SCHEMBL9325739 0.84 PLA2G2A (0.68) PLA2G4B
SCHEMBL9326039 0.84 PLA2G2A (0.68) PLA2G4B
SCHEMBL9326048 0.84 PLA2G2A (0.68) PLA2G4B
SCHEMBL9853952 0.83 NR4A2 (0.69) KMT2APLA2G4BNR4A2NR1H4AKR1C3
SCHEMBL4509654 0.83 KMT2A (0.77) KMT2APLA2G4BNR4A2NR1H4AKR1C3
SCHEMBL9507025 0.83 LCK (0.61) IGF1RALOX15ACHESGMS1SGMS2
SCHEMBL10412747 0.82 CYSLTR1 (0.57) PLA2G4BIGF1RALOX15NR1H4
SCHEMBL9507048 0.82 PPARA (0.60) IGF1RALOX15ACHESGMS1SGMS2

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