SCHEMBL9558448

SCHEMBL9558448

O=C(O)c1ccc(OCCCCc2ccc3cc(O)c(O)cc3c2)cc1O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.47
PPARD Q03181 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
MAOB P27338 7/20 0.43
KAT8 Q9H7Z6 2/20 0.43
FFAR1 O14842 1/20 0.43

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
SCHEMBL9557961 0.99 PPARA (0.54) PPARACYSLTR1PPARDHCAR2MAOB
SCHEMBL9507048 0.88 PPARA (0.60) PPARAPPARDMAOBKAT8
SCHEMBL9558622 0.86 MAOB (0.49) PPARACYSLTR1MAOBFFAR1
SCHEMBL9558671 0.84 PLA2G4B (0.55) CYSLTR1FFAR1
SCHEMBL9557988 0.83 PLA2G4B (0.57) CYSLTR1
SCHEMBL9558352 0.80 PPARA (0.47) PPARAPPARDMAOB
SCHEMBL9304221 0.80 PPARA (0.67) PPARAPPARDKAT8
SCHEMBL9558420 0.79 THRA (0.49) PPARDMAOB
SCHEMBL9507025 0.79 LCK (0.61) PPARAKAT8
SCHEMBL10449025 0.79 APP (0.47) CYSLTR1

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 2 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
US-4937371-A INHIBITING LIPOXYGENASE HOFFMANN-LA ROCHE INC. (US) 1990-06-26 US disclosed