SCHEMBL9558671

SCHEMBL9558671

O=C(O)c1ccc(OCCCCc2ccc3cc(O)c(O)cc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.55
CYSLTR1 Q9Y271 1/20 0.55
GRIN2D O15399 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
NR1H4 Q96RI1 1/20 0.49
PKM P14618 1/20 0.49
RARB P10826 3/20 0.48
HTT P42858 1/20 0.48
FFAR1 O14842 1/20 0.48
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL9557988 0.99 PLA2G4B (0.57) PLA2G4BCYSLTR1GRIN2DGRIN2AGRIN2B
SCHEMBL9506788 0.88 PLA2G4B (0.60) PLA2G4BTP53TSHRNR1H4PKM
SCHEMBL10412747 0.86 CYSLTR1 (0.57) PLA2G4BCYSLTR1GRIN2DGRIN2AGRIN2B
SCHEMBL10412008 0.85 CYSLTR1 (0.54) PLA2G4BCYSLTR1GRIN2DGRIN2AGRIN2B
SCHEMBL9507024 0.85 PKM (0.53) PLA2G4BTP53TSHRPKMRARB
SCHEMBL9558448 0.84 PPARA (0.52) CYSLTR1FFAR1
SCHEMBL9557961 0.83 PPARA (0.54) CYSLTR1
SCHEMBL9558408 0.82 PLA2G4B (0.60) PLA2G4BCYSLTR1NR1H4PKMFFAR1
SCHEMBL9559075 0.81 LTB4R (0.48) GRIN2DGRIN2AGRIN2BGRIN2CHTT
SCHEMBL1123048 0.79 PKM (0.61) PLA2G4BCYSLTR1NR1H4PKMFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384350-B1 DIHYDROXY NAPHTHALENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-04-28 EP disclosed
EP-0384350-A1 Dihydroxy naphthalene derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-08-29 EP disclosed
US-4937371-A INHIBITING LIPOXYGENASE HOFFMANN-LA ROCHE INC. (US) 1990-06-26 US disclosed