SCHEMBL30945915

SCHEMBL30945915

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 3/20 0.51
▸ CTSK P43235 3/20 0.51
▸ PTPN1 P18031 4/20 0.47
▸ CAPN1 P07384 1/20 0.46
▸ CASP3 P42574 2/20 0.45
▸ MDM4 O15151 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ REN P00797 1/20 0.44

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
SCHEMBL30892068 0.92 PTPN1 (0.49) CTSBCTSKPTPN1CASP3MDM4
SCHEMBL29788078 0.91 PTPN1 (0.53) CTSKPTPN1CAPN1CASP3MDM4
SCHEMBL29714942 0.91 PTPN1 (0.53) CTSKPTPN1CAPN1CASP3MDM4
SCHEMBL30643741 0.91 PTPN1 (0.53) CTSKPTPN1CAPN1CASP3MDM4
SCHEMBL23125045 0.91 PTPN1 (0.53) CTSKPTPN1CAPN1CASP3MDM4
SCHEMBL23125048 0.91 PTPN1 (0.53) CTSKPTPN1CAPN1CASP3MDM4
SCHEMBL29750822 0.90 CASP3 (0.53) CTSBCASP3MDM4TP53
SCHEMBL31321065 0.89 CTSB (0.55) CTSBCTSKPTPN1CASP3REN
SCHEMBL29750832 0.89 CASP3 (0.57) CTSBCTSKCASP3MDM4TP53
SCHEMBL29750940 0.89 CASP3 (0.57) CTSBCTSKCASP3MDM4TP53

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-118147106-A Preparation methods of enzyme, complex enzyme, immobilized enzyme and Tirzepatide 深圳瑞德林生物技术有限公司 2024-06-07 — — CN claimed
CN-118147106-A Preparation methods of enzyme, complex enzyme, immobilized enzyme and Tirzepatide 深圳瑞德林生物技术有限公司 2024-06-07 — — CN disclosed
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