SCHEMBL9506788

SCHEMBL9506788

O=C(O)c1ccc(OCCCCCCCCc2ccc(O)c(O)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 6/20 0.60
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
IGF1R P08069 3/20 0.53
ALOX15 P16050 3/20 0.53
RARB P10826 3/20 0.52
HTT P42858 2/20 0.52
PLA2G4A P47712 1/20 0.50
PKM P14618 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL9507024 0.94 PKM (0.53) PLA2G4BTP53TSHRIGF1RALOX15
SCHEMBL9557988 0.89 PLA2G4B (0.57) PLA2G4BTP53TSHRRARBHTT
SCHEMBL10412008 0.89 CYSLTR1 (0.54) PLA2G4BIGF1RALOX15NR1H4POLB
SCHEMBL9558671 0.88 PLA2G4B (0.55) PLA2G4BTP53TSHRRARBHTT
SCHEMBL10412747 0.87 CYSLTR1 (0.57) PLA2G4BIGF1RALOX15NR1H4POLB
SCHEMBL9506806 0.86 KMT2A (0.56) PLA2G4BIGF1RALOX15NR1H4
SCHEMBL9507025 0.85 LCK (0.61) IGF1RALOX15
SCHEMBL9507048 0.84 PPARA (0.60) IGF1RALOX15
SCHEMBL9326039 0.83 PLA2G2A (0.68) PLA2G4BTP53TSHRRARB
SCHEMBL9326048 0.83 PLA2G2A (0.68) PLA2G4BTP53TSHRRARB

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