SCHEMBL9682622

SCHEMBL9682622

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

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.57
CTSS P25774 2/20 0.57
CTSL P07711 1/20 0.57
CTSB P07858 1/20 0.57
CAPN1 P07384 1/20 0.55
CAPN2 P17655 1/20 0.55
MMP3 P08254 1/20 0.53

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
SCHEMBL11509326 0.98 CTSK (0.59) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL14017627 0.98 CTSK (0.59) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5707878 0.98 CTSK (0.59) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL31650946 0.93 CTSK (0.57) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL11658563 0.89 CTSK (0.58) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL9156373 0.88 KCNA5 (0.62) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL13746198 0.88 CTSK (0.63) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL9156377 0.88 KCNA5 (0.62) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL31488862 0.86 ALDH1A1 (0.51)
SCHEMBL11239042 0.86 CTSL (0.53) CTSKCTSSCTSLCTSB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117551188-A Plutella xylostella disco cocoon abnormal cell serine protease inhibitor and application thereof 浙江大学 2024-02-13 CN disclosed
US-5126258-A Hydrolysis of polypeptides at predetermined site SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1992-06-30 US disclosed