SCHEMBL29233231

SCHEMBL29233231

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ CASP3 P42574 3/20 0.43
▸ TLR2 O60603 2/20 0.42
▸ MDM4 O15151 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ EPHX2 P34913 1/20 0.40

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
SCHEMBL29233233 1.00 KMT2A (0.46) KMT2ACASP3TLR2MDM4TP53
SCHEMBL30407138 0.90 KMT2A (0.43) KMT2ACASP3EPHX2
SCHEMBL30028151 0.90 KMT2A (0.53) KMT2ACASP3TLR2MDM4TP53
SCHEMBL18429471 0.90 KMT2A (0.53) KMT2ACASP3TLR2MDM4TP53
SCHEMBL1668211 0.90 KMT2A (0.53) KMT2ACASP3TLR2MDM4TP53
SCHEMBL30074698 0.85 KMT2A (0.56) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL16867594 0.85 KMT2A (0.56) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL29101937 0.85 KMT2A (0.48) KMT2ACASP3TLR2MDM4TP53
SCHEMBL29101932 0.85 KMT2A (0.48) KMT2ACASP3TLR2MDM4TP53
SCHEMBL29233234 0.84 KMT2A (0.53) KMT2ACASP3MDM4TP53EPHX2

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-118215676-A Specific conjugation of antibody drug conjugates 杭州多禧生物科技有限公司 2024-06-18 — — CN disclosed
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