SCHEMBL31389331

SCHEMBL31389331

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.55
▸ KMT2A Q03164 1/20 0.49
▸ MDM2 Q00987 5/20 0.47
▸ MDM4 O15151 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CPB1 P15086 1/20 0.45
▸ CPB2 Q96IY4 1/20 0.45
▸ C3AR1 Q16581 1/20 0.45
▸ PTPN1 P18031 1/20 0.45

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
SCHEMBL31389333 0.95 TLR2 (0.51) TLR2KMT2ACPB1CPB2PTPN1
SCHEMBL29657651 0.93 TLR2 (0.54) TLR2KMT2AMDM2MDM4TP53
SCHEMBL30425443 0.93 KMT2A (0.59) TLR2KMT2AMDM2MDM4TP53
SCHEMBL29445594 0.93 KMT2A (0.59) TLR2KMT2AMDM2MDM4TP53
SCHEMBL31212512 0.92 TLR2 (0.59) TLR2KMT2AMDM2MDM4TP53
SCHEMBL25356641 0.92 KMT2A (0.55) TLR2KMT2AMDM2MDM4TP53
SCHEMBL119468 0.92 KMT2A (0.55) TLR2KMT2AMDM2MDM4TP53
SCHEMBL31647336 0.92 KMT2A (0.55) TLR2KMT2AMDM2MDM4TP53
SCHEMBL13401519 0.92 KMT2A (0.55) TLR2KMT2AMDM2MDM4TP53
SCHEMBL29569815 0.92 KMT2A (0.55) TLR2KMT2AMDM2MDM4TP53

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
CN-122028938-A Pharmaceutical combination comprising an anti-CD 37 antibody maytansinoid conjugate and a BCL2 inhibitor or PI3K inhibitor 德彪药业国际股份公司 2026-05-12 — — CN disclosed
CN-119255824-A Ligand-drug conjugates with improved pharmacokinetic and drug release profiles 德比欧药物研究有限公司 2025-01-03 — — CN disclosed
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