SCHEMBL31584148

SCHEMBL31584148

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

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.57
▸ KMT2A Q03164 1/20 0.50
▸ MDM2 Q00987 5/20 0.49
▸ MDM4 O15151 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ TNF P01375 1/20 0.44

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
SCHEMBL22654312 1.00 TLR2 (0.57) TLR2KMT2AMDM2MDM4TP53
SCHEMBL18171056 1.00 TLR2 (0.57) TLR2KMT2AMDM2MDM4TP53
SCHEMBL31259011 1.00 TLR2 (0.57) TLR2KMT2AMDM2MDM4TP53
SCHEMBL22408648 1.00 TLR2 (0.57) TLR2KMT2AMDM2MDM4TP53
SCHEMBL21222814 1.00 TLR2 (0.57) TLR2KMT2AMDM2MDM4TP53
SCHEMBL21223782 1.00 TLR2 (0.57) TLR2KMT2AMDM2MDM4TP53
SCHEMBL22408647 1.00 TLR2 (0.57) TLR2KMT2AMDM2MDM4TP53
SCHEMBL21222782 1.00 TLR2 (0.57) TLR2KMT2AMDM2MDM4TP53
SCHEMBL27190437 0.94 TLR2 (0.57) TLR2KMT2AMDM2MDM4TP53
SCHEMBL27190438 0.94 TLR2 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025103367-A1 LIGAND-DRUG CONJUGATE, LINKER FOR CONJUGATION, AND USE THEREOF 海南先声再明医药股份有限公司 2025-05-22 — — WO disclosed
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