SCHEMBL31553482

SCHEMBL31553482

COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 10/20 0.50
▸ ATM Q13315 2/20 0.50
▸ NPSR1 Q6W5P4 9/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ POLB P06746 4/20 0.49
▸ PAX8 Q06710 2/20 0.47
▸ MAPT P10636 7/20 0.47
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PSMB8 P28062 1/20 0.43
▸ PSMB9 P28065 1/20 0.43
▸ PSMB5 P28074 1/20 0.43
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42

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
SCHEMBL31553483 0.91 TDP1 (0.48) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL31488230 0.87 TDP1 (0.45) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL1486139 0.86 KLK5 (0.44) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL7276364 0.86 KLK5 (0.44) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL19975659 0.82 TDP1 (0.50) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL16217782 0.82 TDP1 (0.50) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL28584347 0.82 CTSS (0.55) TDP1POLBPAX8MAPTALDH1A1
SCHEMBL30386785 0.82 CTSS (0.55) TDP1POLBPAX8MAPTALDH1A1
SCHEMBL10436055 0.82 CTSS (0.55) TDP1POLBPAX8MAPTALDH1A1
SCHEMBL17534650 0.82 KLK5 (0.42) TDP1NPSR1POLBKDM4E

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-119708124-A Liquid phase synthesis method of bursin tripeptide 厦门胜泽泰医药科技有限公司 2025-03-28 — — CN disclosed
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