SCHEMBL20197069

SCHEMBL20197069

CCOC(=O)CCCCCCc1ccc(OCc2cccc(C)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 9/20 0.57
▸ MAOB P27338 2/20 0.55
▸ PPARG P37231 1/20 0.50
▸ PPARA Q07869 1/20 0.50
▸ LTA4H P09960 2/20 0.48
▸ HDAC8 Q9BY41 1/20 0.47
▸ DUSP3 P51452 1/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.46
▸ CYP4Z1 Q86W10 1/20 0.46

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
SCHEMBL8890073 0.88 FFAR1 (0.58) FFAR1LTA4HFFAR4
SCHEMBL8888760 0.88 FFAR1 (0.58) FFAR1LTA4HFFAR4
SCHEMBL8887581 0.88 FFAR1 (0.58) FFAR1LTA4HFFAR4
SCHEMBL8890454 0.87 FFAR1 (0.59) FFAR1LTA4HFFAR4
SCHEMBL12329630 0.86 PPARA (0.56) PPARGPPARAHDAC8CYP4Z1
SCHEMBL765019 0.86 PPARA (0.56) PPARGPPARAHDAC8CYP4Z1
SCHEMBL14325320 0.85 CYP4F2 (0.55) PPARGPPARAHDAC8CYP4Z1
SCHEMBL19825762 0.83 FFAR1 (0.61) FFAR1LTA4HFFAR4
SCHEMBL765924 0.81 ALOX5 (0.57) PPARGPPARAHDAC8CYP4Z1
SCHEMBL12548347 0.81 CYP4Z1 (0.58) LTA4HCYP4Z1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 — — EP disclosed
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