SCHEMBL28078071

SCHEMBL28078071

CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OI

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.58
CTSS P25774 3/20 0.58
PSENEN Q9NZ42 1/20 0.51
CA2 P00918 3/20 0.45
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
CYP2D6 P10635 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL3730085 0.88 CTSK (0.58) CTSKCTSSPSENENCA2CA1
SCHEMBL3730087 0.88 CTSK (0.58) CTSKCTSSPSENENCA2CA1
SCHEMBL9743636 0.87 CTSK (0.61) CTSKCTSSPSENENCA2CA1
SCHEMBL1486221 0.87 PSENEN (0.62) CTSKCTSSPSENENCA2CA1
SCHEMBL1486223 0.87 PSENEN (0.62) CTSKCTSSPSENENCA2CA1
SCHEMBL245495 0.87 PSENEN (0.62) CTSKCTSSPSENENCA2CA1
SCHEMBL8466502 0.86 CTSS (0.59) CTSKCTSSPSENENCA2CA1
SCHEMBL8466501 0.86 CTSS (0.59) CTSKCTSSPSENENCA2CA1
SCHEMBL28469162 0.84 CTSK (0.58) CTSKCTSSPSENENCA2CA1
SCHEMBL15488335 0.83 CTSK (0.57) CTSKCTSSPSENENCA2CA1

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
CN-105764904-A Aza-pyridone compounds and uses thereof 艾丽奥斯生物制药有限公司 2016-07-13 CN disclosed