SCHEMBL6519761

SCHEMBL6519761

COc1ccc(CS(=O)(=O)n2cc(CCCCCCCCCCO)c3c(OC)cccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 9/20 0.48
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CCR4 P51679 1/20 0.35
▸ FKBP1A P62942 2/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5352434 1.00 HTR6 (0.48) HTR6CYP3A4CYP2D6CCR4FKBP1A
SCHEMBL5361336 1.00 HTR6 (0.48) HTR6CYP3A4CYP2D6CCR4FKBP1A
SCHEMBL5362401 1.00 HTR6 (0.48) HTR6CYP3A4CYP2D6CCR4FKBP1A
SCHEMBL5352437 0.86 HTR6 (0.59) HTR6CYP3A4CYP2D6PPARGPPARD
SCHEMBL5361339 0.86 HTR6 (0.59) HTR6CYP3A4CYP2D6PPARGPPARD
SCHEMBL6519764 0.86 HTR6 (0.59) HTR6CYP3A4CYP2D6PPARGPPARD
SCHEMBL5362405 0.86 HTR6 (0.59) HTR6CYP3A4CYP2D6PPARGPPARD
SCHEMBL5360618 0.86 HTR6 (0.59) HTR6CYP3A4CYP2D6PPARGPPARD
SCHEMBL5355636 0.81 PPARG (0.53) HTR6PPARGPPARDPPARA
SCHEMBL5350312 0.81 PPARG (0.53) HTR6PPARGPPARDPPARA

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-1533299-A1 INDOLE DERIVATIVES AND DRUGS CONTAINING THE SAME Meiji Dairies Corporation (JP) 2005-05-25 — — EP disclosed
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