SCHEMBL25148139

SCHEMBL25148139

NC(=O)NCCCC(NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ TPSAB1 Q15661 1/20 0.42
▸ EPHX2 P34913 1/20 0.39
▸ TLR2 O60603 2/20 0.39
▸ PTPN1 P18031 4/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.38

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
SCHEMBL31681555 1.00 KMT2A (0.43) KMT2ATPSAB1EPHX2TLR2PTPN1
SCHEMBL84334 0.93 FURIN (0.40) KMT2ATPSAB1TLR2PTPN1
SCHEMBL13196227 0.92 TLR2 (0.45) KMT2ATPSAB1TLR2PTPN1SIRT2
SCHEMBL29371674 0.92 TLR2 (0.45) KMT2ATPSAB1TLR2PTPN1SIRT2
SCHEMBL13311052 0.92 TLR2 (0.45) KMT2ATPSAB1TLR2PTPN1SIRT2
SCHEMBL29694582 0.91 FURIN (0.39) KMT2ATPSAB1TLR2PTPN1
SCHEMBL31681559 0.87 MDM2 (0.43) TPSAB1TLR2PTPN1SIRT2SIRT1
SCHEMBL23477323 0.87 TLR2 (0.45) KMT2ATLR2PTPN1SIRT2SIRT1
SCHEMBL13044093 0.86 CASP3 (0.45) TLR2PTPN1SIRT2SIRT1
SCHEMBL13830419 0.86 CASP3 (0.45) TLR2PTPN1SIRT2SIRT1

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-2023061405-A1 HIGHLY-STABLE TARGETED LINKER-DRUG CONJUGATE 成都科岭源医药技术有限公司 2023-04-20 — — WO disclosed
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