SCHEMBL10048602

SCHEMBL10048602

Cc1c(Cl)c(O)c(CCCCCCCC(O)CC(=O)C(C)C)c(O)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 15/20 0.41
▸ MAOB P27338 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL2726180 0.77 DHODH (0.41) DHODHMAOB
SCHEMBL2724829 0.77 DHODH (0.41) DHODHMAOB
SCHEMBL2727924 0.76 DHODH (0.38) DHODH
SCHEMBL16776537 0.76 DHODH (0.42) DHODHMAOB
SCHEMBL3902259 0.76 DHODH (0.42) DHODHMAOB
SCHEMBL2727507 0.75 DHODH (0.45) DHODH
SCHEMBL2724844 0.75 DHODH (0.45) DHODH
SCHEMBL2727106 0.75 DHODH (0.45) DHODH
SCHEMBL15374661 0.75 DHODH (0.47) DHODHMAOB
SCHEMBL2725514 0.74 DHODH (0.41) DHODHMAOB

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
WO-2012060387-A1 NOVEL DIHYDROXYBENZENE DERIVATIVES AND ANTIPROTOZOAL AGENT COMPRISING SAME AS ACTIVE INGREDIENT アリジェン製薬株式会社 (JP) 2012-05-10 — — WO disclosed
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