SCHEMBL4051763

SCHEMBL4051763

CC(C)COC(=O)N[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.43
CAPN1 P07384 3/20 0.42
CASP1 P29466 1/20 0.41
CASP3 P42574 1/20 0.41
CASP2 P42575 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
CASP8 Q14790 1/20 0.41
CASP10 Q92851 1/20 0.41
CTSK P43235 4/20 0.39
CTSL P07711 2/20 0.39
CTSS P25774 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL8008130 0.90 SYK (0.45) PREPCTSL
SCHEMBL14964310 0.84 CASP1 (0.45) PREPCAPN1CASP1CASP3CASP2
SCHEMBL16474261 0.82 CASP1 (0.44) PREPCAPN1CASP1CASP3CASP2
SCHEMBL1931615 0.81 ABCB1 (0.46) PREPCAPN1CASP1CASP3CASP2
SCHEMBL4065908 0.78 PREP (0.56) PREPCTSKCTSLCTSSCYP3A4
SCHEMBL5905807 0.78 PREP (0.50) PREP
SCHEMBL7934107 0.77 CASP1 (0.44) PREPCAPN1CASP1CASP3CASP2
SCHEMBL12553013 0.75 CASP1 (0.40) PREPCAPN1CASP1CASP3CASP2
SCHEMBL3229214 0.73 HRH4 (0.42)
SCHEMBL8007264 0.71 PREP (0.53) PREPCTSKCTSLCTSSCYP3A4

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-2009111680-A1 TRPV4 ANTAGONISTS SMITHLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed