SCHEMBL28074201

SCHEMBL28074201

CCC(=O)OC(=O)C(CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.55
CTSS P25774 3/20 0.55
CTSL P07711 2/20 0.55
CTSB P07858 1/20 0.55
CAPN1 P07384 1/20 0.51
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
AAK1 Q2M2I8 1/20 0.44
CYP2D6 P10635 1/20 0.42
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL28195122 0.91 CTSK (0.55) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL6897731 0.91 CTSK (0.60) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL9451172 0.88 CTSK (0.52) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL27844885 0.88 CTSK (0.52) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL21675512 0.85 CTSK (0.61) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL15107084 0.84 CYP1A2 (0.59) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL15374288 0.84 CYP1A2 (0.59) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL9596442 0.84 CYP1A2 (0.59) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL56907 0.84 CTSL (0.60) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL55832 0.84 CTSL (0.60) CTSKCTSSCTSLCTSBCAPN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106029672-B serine/threonine kinase inhibitors 基因泰克公司 2019-03-29 CN disclosed
CN-106029672-A Serine/threonine kinase inhibitors 基因泰克公司 2016-10-12 CN disclosed