SCHEMBL28833767

SCHEMBL28833767

CCOC(=O)[C@H]1CN(C(=O)O)CC[C@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.54
CTSK P43235 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.46
HSD11B1 P28845 1/20 0.46
DPP4 P27487 3/20 0.45
KCNH2 Q12809 3/20 0.45
DPP7 Q9UHL4 3/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 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
SCHEMBL28833984 1.00 CPB1 (0.54) CPB1CTSKCTSLCTSBMEN1
SCHEMBL19817481 0.88 CPB1 (0.49) CPB1CTSKMEN1KMT2AHSD11B1
SCHEMBL28833812 0.88 CPB1 (0.49) CPB1CTSKMEN1KMT2AHSD11B1
SCHEMBL6354112 0.88 CPB1 (0.49) CPB1CTSKMEN1KMT2AHSD11B1
SCHEMBL19814438 0.88 CPB1 (0.49) CPB1CTSKMEN1KMT2AHSD11B1
SCHEMBL19814818 0.88 CPB1 (0.49) CPB1CTSKMEN1KMT2AHSD11B1
SCHEMBL23415531 0.88 CPB1 (0.54) CPB1CTSKCTSLCTSBHSD11B1
SCHEMBL23415370 0.88 CPB1 (0.54) CPB1CTSKCTSLCTSBHSD11B1
SCHEMBL6713945 0.88 CPB1 (0.53) CPB1CTSKCTSLCTSBHSD11B1
SCHEMBL2852717 0.84 CTSK (0.47) CPB1CTSKCTSLCTSBMEN1

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-114980976-A Covalent RAS inhibitors and uses thereof 锐新医药公司 2022-08-30 CN disclosed