SCHEMBL29233291

SCHEMBL29233291

CC(C)[C@H](NC(=O)CNC(=O)CN)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.40
CTSS P25774 2/20 0.40
KLK5 Q9Y337 1/20 0.37
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
NPR3 P17342 1/20 0.33
SDCBP O00560 1/20 0.33
SDC2 P34741 1/20 0.33
CYP2D6 P10635 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
ABCB1 P08183 1/20 0.32
CAPN1 P07384 1/20 0.32
TERT O14746 1/20 0.31
BIRC2 Q13490 1/20 0.31
CTSD P07339 1/20 0.31

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
SCHEMBL22153106 0.89 CTSK (0.41) CTSKCTSSKLK5CA2CA1
Hydrochloric Acid SCHEMBL918765 0.88 CTSK (0.40) CTSKCTSSKLK5CA2CA1
SCHEMBL28339162 0.85 NPSR1 (0.35) CTSKCTSSCA2CA1CA7
SCHEMBL30029784 0.85 CTSK (0.48) CTSKCTSSKLK5CA2CA1
SCHEMBL30872662 0.83 CTSS (0.41) CTSKCTSSKLK5CA2CA1
SCHEMBL30872723 0.80 CTSK (0.60) CTSKCTSSKLK5CA2CA1
SCHEMBL10076063 0.78 CTSK (0.42) CTSKCTSSKLK5CA2CA1
SCHEMBL15756817 0.78 NPSR1 (0.43) SDCBPSDC2
SCHEMBL12935765 0.78 CTSK (0.42) CTSKCTSSKLK5CA2CA1
SCHEMBL15756824 0.78 NPSR1 (0.43) SDCBPSDC2

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-118215676-A Specific conjugation of antibody drug conjugates 杭州多禧生物科技有限公司 2024-06-18 CN disclosed