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SCHEMBL30924966

SCHEMBL30924966

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 2/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ MDM4 O15151 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ CASP3 P42574 2/20 0.36
▸ SLC6A9 P48067 1/20 0.36
▸ SLC6A5 Q9Y345 1/20 0.36
▸ TLR2 O60603 1/20 0.35

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
SCHEMBL20371136 0.90 MDM2 (0.46) MDM2KMT2AMDM4TP53CASP3
SCHEMBL4447235 0.88 KMT2A (0.52) MDM2KMT2AMDM4TP53TLR2
SCHEMBL27240993 0.83 SLC6A9 (0.41) KMT2ASLC6A9SLC6A5
SCHEMBL27240989 0.83 SLC6A9 (0.41) KMT2ASLC6A9SLC6A5
SCHEMBL15960125 0.83 CASP3 (0.47) KMT2AMDM4TP53CASP3TLR2
SCHEMBL20371116 0.83 KMT2A (0.44) MDM2KMT2AMDM4TP53CASP3
SCHEMBL16353568 0.82 KMT2A (0.49) MDM2KMT2AMDM4TP53TLR2
SCHEMBL29929002 0.81 MDM2 (0.32) MDM2KMT2AMDM4TP53CASP3
SCHEMBL29157253 0.81 KIF11 (0.38) TP53SLC6A9SLC6A5
SCHEMBL29157256 0.81 KIF11 (0.38) TP53SLC6A9SLC6A5

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-20240191276-A1 METHODS FOR LIGATION OF (POLY)PEPTIDES AND OLIGONUCLEOTIDES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2024-06-13 — — US disclosed
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