SCHEMBL31042500

SCHEMBL31042500

CCN(C(=O)[C@H](C)NC(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.56
CTSL P07711 5/20 0.56
CTSB P07858 5/20 0.56
CTSS P25774 5/20 0.56
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
CTRB1 P17538 2/20 0.52
MME P08473 1/20 0.47
ECE1 P42892 1/20 0.47
CAPN1 P07384 1/20 0.47
ATM Q13315 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL24929859 0.90 MEN1 (0.55) CTSKCTSLCTSBCTSSMEN1
SCHEMBL24929854 0.84 MEN1 (0.54) CTSKCTSLCTSBCTSSMEN1
SCHEMBL20163748 0.84 MEN1 (0.59) CTSKCTSLCTSBCTSSMEN1
SCHEMBL7270975 0.80 ALDH1A1 (0.49) LMNAKMT2ACTRB1CYP3A4
SCHEMBL30428390 0.79 MEN1 (0.47) CTSKCTSLCTSBCTSSMEN1
SCHEMBL6782182 0.79 CTSK (0.70) CTSKCTSLCTSBCTSSMEN1
SCHEMBL5192015 0.79 CTSK (0.70) CTSKCTSLCTSBCTSSMEN1
SCHEMBL6311475 0.79 CTSK (0.70) CTSKCTSLCTSBCTSSMEN1
SCHEMBL241565 0.78 CTSK (0.61) CTSKCTSLCTSBCTSSMEN1
SCHEMBL856196 0.78 CTSK (0.61) CTSKCTSLCTSBCTSSMEN1

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-118475590-A N-alkylamino acid and method for producing peptide containing N-alkylamino acid 中外制药株式会社 2024-08-09 CN disclosed