Sugi Predict

Sugi Predict / Compounds / SCHEMBL15869729

SCHEMBL15869729

SCHEMBL15869729

CC(OC(=O)NC(CN(c1ccccc1)c1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.44
▸ OPRM1 P35372 3/20 0.42
▸ LPAR1 Q92633 2/20 0.41
▸ LPAR3 Q9UBY5 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NAAA Q02083 1/20 0.39
▸ ITGAV P06756 1/20 0.38
▸ ITGB6 P18564 1/20 0.38

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
SCHEMBL9830863 0.82 CTSK (0.48) CTSKOPRM1LPAR1LPAR3HCAR2
SCHEMBL9830861 0.82 CTSK (0.48) CTSKOPRM1LPAR1LPAR3HCAR2
SCHEMBL345954 0.80 CTSK (0.46) CTSKOPRM1LPAR1LPAR3HCAR2
SCHEMBL3935560 0.78 PPARA (0.54) CTSK
SCHEMBL3935572 0.78 PPARA (0.54) CTSK
SCHEMBL345120 0.78 CTSK (0.46) CTSKOPRM1LPAR1LPAR3HCAR2
SCHEMBL371133 0.76 CTSK (0.44) CTSKOPRM1LPAR1LPAR3HCAR2
SCHEMBL10654631 0.76 PPARA (0.46) CTSKLPAR1LPAR3HCAR2HTT
SCHEMBL10654633 0.76 PPARA (0.46) CTSKLPAR1LPAR3HCAR2HTT
SCHEMBL626181 0.76 PPARA (0.52) CTSK

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
US-8778955-B2 Indole derivatives or benzimidazole derivatives for modulating IkB kinase SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-07-15 — — US disclosed