SCHEMBL30892068

SCHEMBL30892068

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

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.49
▸ CTSK P43235 3/20 0.47
▸ CTSB P07858 2/20 0.47
▸ MDM4 O15151 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CASP3 P42574 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
SCHEMBL30945915 0.92 CTSB (0.51) PTPN1CTSKCTSBMDM4TP53
SCHEMBL30375087 0.91 CTSK (0.53) PTPN1CTSKCTSBMDM4TP53
SCHEMBL29597168 0.91 PTPN1 (0.44) PTPN1CTSKMDM4TP53
SCHEMBL14787143 0.90 MDM4 (0.47) MDM4TP53CASP3
SCHEMBL29596585 0.90 PTPN1 (0.51) PTPN1CTSKCTSBMDM4TP53
SCHEMBL29722079 0.89 PTPN1 (0.49) PTPN1MDM4TP53
SCHEMBL14788960 0.89 MDM4 (0.46) PTPN1MDM4TP53CASP3
SCHEMBL15866464 0.89 PTPN1 (0.53) PTPN1CTSKMDM4TP53CASP3
SCHEMBL30582698 0.89 CASP3 (0.54) CTSBMDM4TP53CASP3
Hydrochloric Acid SCHEMBL29264284 0.89 PTPN1 (0.45) PTPN1CTSKCTSBCASP3

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-118005767-A Method for preparing Tirzepatide by combining solid and liquid 柏佳薇(深圳)生物科技有限公司 2024-05-10 — — CN claimed
CN-118005767-A Method for preparing Tirzepatide by combining solid and liquid 柏佳薇(深圳)生物科技有限公司 2024-05-10 — — CN disclosed
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