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SCHEMBL29929002

SCHEMBL29929002

COc1ccc(C(OC[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.32
▸ BMP1 P13497 1/20 0.31
▸ MDM4 O15151 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TLR2 O60603 2/20 0.31
▸ CASP3 P42574 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL29508220 0.84 KMT2A (0.36) MDM2BMP1MDM4TP53TLR2
SCHEMBL24299734 0.82 KMT2A (0.38) MDM2BMP1MDM4TP53TLR2
SCHEMBL30924966 0.81 MDM2 (0.40) MDM2MDM4TP53TLR2CASP3
SCHEMBL29929403 0.78 MDM2 (0.32) MDM2BMP1
SCHEMBL27292832 0.78 GAA (0.34) KMT2A
SCHEMBL18349841 0.77 HDAC1 (0.35) KMT2A
SCHEMBL13705519 0.76 KMT2A (0.33) TLR2CASP3KMT2A
SCHEMBL20371110 0.76 — —
SCHEMBL24115355 0.74 TLR2 (0.41) MDM2BMP1MDM4TP53TLR2
SCHEMBL31469016 0.73 KMT2A (0.46) TLR2CASP3KMT2A

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
EP-4298231-A1 METHODS FOR LIGATION OF (POLY)PEPTIDES AND OLIGONUCLEOTIDES Nanyang Technological University (SG) 2024-01-03 — — EP disclosed
WO-2022182294-A1 METHODS FOR LIGATION OF (POLY)PEPTIDES AND OLIGONUCLEOTIDES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2022-09-01 — — WO disclosed
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