SCHEMBL30337434

SCHEMBL30337434

CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.49
▸ CASP3 P42574 3/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ MDM4 O15151 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GRB2 P62993 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
SCHEMBL28741504 0.92 MDM4 (0.52) CASP3MDM4TP53
SCHEMBL28741502 0.92 MDM4 (0.52) CASP3MDM4TP53
SCHEMBL2313063 0.89 CASP3 (0.57) CASP3KMT2AMDM4TP53
SCHEMBL29386346 0.89 CASP3 (0.57) CASP3KMT2AMDM4TP53
SCHEMBL7423417 0.89 CASP3 (0.57) CASP3KMT2AMDM4TP53
SCHEMBL29361981 0.89 CASP3 (0.57) CASP3KMT2AMDM4TP53
SCHEMBL13163967 0.89 CASP3 (0.57) CASP3KMT2AMDM4TP53
SCHEMBL29423514 0.89 CASP3 (0.57) CASP3KMT2AMDM4TP53
SCHEMBL29105488 0.89 PTPN1 (0.49) PTPN1
SCHEMBL29105489 0.89 PTPN1 (0.49) PTPN1

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-115594754-A Preparation method of teriparatide 前沿生物药业(南京)股份有限公司(CN) 2023-01-13 — — CN disclosed
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