SCHEMBL13791900

SCHEMBL13791900

CCC(=O)c1ccccc1C(O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.52
EED O75530 1/20 0.52
RBBP4 Q09028 1/20 0.52
SUZ12 Q15022 1/20 0.52
EZH2 Q15910 1/20 0.52
AEBP2 Q6ZN18 1/20 0.52
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
IDO1 P14902 3/20 0.46
DPP4 P27487 1/20 0.44
STS P08842 1/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
NAMPT P43490 1/20 0.43

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
SCHEMBL31602756 0.82 GPR119 (0.56) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL19617395 0.82 GPR119 (0.49) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL30607205 0.82 GPR119 (0.49) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL21050110 0.82 GPR119 (0.49) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL3786536 0.81 EED (0.50) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL1249505 0.81 EED (0.50) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL1249503 0.81 EED (0.50) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL3852714 0.81 EED (0.50) GPR119EEDRBBP4SUZ12EZH2
SCHEMBL14065612 0.80 GPR119 (0.51) GPR119KDM4EPKMIDO1STS
SCHEMBL22558670 0.79 GPR119 (0.59) GPR119EEDRBBP4SUZ12EZH2

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-7541368-B2 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{3-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-ylmethyl]-phenyl}-urea; use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and tumor necrosis factor (TNF) AVENTIS PHARMACEUTICALS INC. (US) 2009-06-02 US disclosed