SCHEMBL28356321

SCHEMBL28356321

CC(C)(C)OC(=O)NC(CC(N)S)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 9/20 0.43
▸ CTSS P25774 6/20 0.43
▸ CTSL P07711 2/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CAPN1 P07384 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL29019455 0.87 CTSS (0.47) CTSKCTSSCTSLCTSBCA1
Hydrochloric Acid SCHEMBL26645727 0.84 CTSK (0.47) CTSKCTSSCTSLCTSBCYP1A2
Hydrochloric Acid SCHEMBL26645724 0.84 CTSK (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL21675512 0.81 CTSK (0.61) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL12673233 0.80 CTSK (0.49) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL6237621 0.80 CYP1A2 (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL7079252 0.80 CYP1A2 (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL25256775 0.80 CYP1A2 (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL20783244 0.80 CYP1A2 (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL2393366 0.80 CYP1A2 (0.47) CTSKCTSSCTSLCTSBCYP1A2

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-110475785-A The selection method of peptide compounds and its manufacturing method, screening composition and peptide compounds FUJIFILM CORP 2019-11-19 — — CN disclosed
Send feedback