SCHEMBL11400956

SCHEMBL11400956

NC(=O)CCc1cccc(OCCc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 7/20 0.64
▸ SIRT2 Q8IXJ6 6/20 0.55
▸ TDP1 Q9NUW8 1/20 0.50
▸ KCNH2 Q12809 1/20 0.48
▸ FFAR4 Q5NUL3 1/20 0.48
▸ APP P05067 1/20 0.48
▸ CYP4F2 P78329 1/20 0.48
▸ CYP4A11 Q02928 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 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
SCHEMBL2912575 0.87 FFAR1 (0.66) FFAR1FFAR4CYP4F2CYP4A11
SCHEMBL3179388 0.87 FFAR1 (0.48) FFAR1SIRT2KCNH2CYP4F2CYP4A11
SCHEMBL7451728 0.81 SIRT2 (0.60) FFAR1SIRT2KCNH2
SCHEMBL9367360 0.80 FFAR1 (0.64) FFAR1SIRT2CYP4F2CYP4A11
SCHEMBL25175611 0.79 FFAR1 (0.76) FFAR1FFAR4
SCHEMBL29818702 0.79 PPARG (0.47) FFAR1SIRT2
SCHEMBL2208586 0.79 PPARG (0.47) FFAR1SIRT2
SCHEMBL17413767 0.79 FFAR1 (0.71) FFAR1FFAR4
SCHEMBL17912866 0.79 NPC1 (0.60) FFAR1SIRT2NPC1RAB9A
SCHEMBL2593 0.79 KEAP1 (0.67) FFAR1TDP1NPC1RAB9A

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
JP-55055148-A — — None — — JP disclosed
JP-S5555148-A SUBSTITUTED ANILINE DERIVATIVE, ITS PREPARATION, HERBICIDE AND FUNGICIDE COMPRISING IT SUMITOMO CHEM CO LTD 1980-04-22 — — JP disclosed
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