SCHEMBL30516234

SCHEMBL30516234

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.56
S1PR4 O95977 2/20 0.54
S1PR1 P21453 1/20 0.54
CTSS P25774 2/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
MAPT P10636 4/20 0.52
ALDH1A1 P00352 2/20 0.51
NTSR1 P30989 1/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RECQL P46063 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL3394165 1.00 CTSK (0.56) CTSKS1PR4S1PR1CTSSCTSL
SCHEMBL3394167 1.00 CTSK (0.56) CTSKS1PR4S1PR1CTSSCTSL
Hydrochloric Acid SCHEMBL11604468 0.99 CTSK (0.55) CTSKS1PR4S1PR1CTSSCTSL
SCHEMBL18775036 0.88 CTSK (0.57) CTSKS1PR4S1PR1CTSSCTSL
SCHEMBL18791070 0.88 CTSK (0.57) CTSKS1PR4S1PR1CTSSCTSL
SCHEMBL7373368 0.86 POLB (0.50) CTSKALDH1A1
SCHEMBL11432342 0.86 CTSK (0.61) CTSKS1PR4S1PR1CTSSCTSL
SCHEMBL16482872 0.85 CTSK (0.55) CTSKS1PR4S1PR1CTSSCTSL
SCHEMBL18515876 0.85 ACE (0.62) S1PR1MAPT
SCHEMBL18429658 0.85 ACE (0.62) S1PR1MAPT

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-109517032-B Tetrapeptide compound and preparation method and application thereof 兰州大学 2023-07-28 CN disclosed