SCHEMBL8345377

SCHEMBL8345377

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

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MDM4 O15151 3/20 0.41
▸ TP53 P04637 3/20 0.41
▸ PTPN1 P18031 2/20 0.39
▸ MDM2 Q00987 1/20 0.38

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
SCHEMBL30640779 0.89 CASP3 (0.42) CASP3KMT2AMDM4TP53PTPN1
SCHEMBL24579343 0.89 CASP3 (0.42) CASP3KMT2AMDM4TP53PTPN1
SCHEMBL26605892 0.86 KMT2A (0.38) CASP3KMT2AMDM4TP53
SCHEMBL24579341 0.86 KMT2A (0.38) CASP3KMT2AMDM4TP53
SCHEMBL29697697 0.86 KMT2A (0.38) CASP3KMT2AMDM4TP53
SCHEMBL24579340 0.86 KMT2A (0.38) CASP3KMT2AMDM4TP53
SCHEMBL29696614 0.86 KMT2A (0.38) CASP3KMT2AMDM4TP53
SCHEMBL29670125 0.83 CASP3 (0.52) CASP3KMT2AMDM4TP53MDM2
SCHEMBL24414058 0.82 CASP3 (0.49) CASP3KMT2AMDM4TP53MDM2
SCHEMBL30902834 0.82 CASP3 (0.49) CASP3KMT2AMDM4TP53MDM2

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
US-5948693-A COVALENTLY BONDING SIDE CHAIN OF SELECTED AMINO ACID TO SOLID SUPPORT VIA ACID-LABILE OR PHOTO-LABILE LINKER, PROTECTING C-TERMINUS, SYNTHESIZING POLYPEPTIDE ON N-TERMINUS, DEPROTECTING C-TERMINUS AND CYCLIZING POLYPEPTIDE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-09-07 — — US disclosed
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