SCHEMBL31065851

SCHEMBL31065851

CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCCN(C)C)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.46
▸ TLR2 O60603 2/20 0.40
▸ PTPN1 P18031 3/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ FURIN P09958 2/20 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
SCHEMBL29407919 0.87 CASP3 (0.45) CASP3TLR2PTPN1FURIN
SCHEMBL29737788 0.87 CASP3 (0.45) CASP3TLR2PTPN1FURIN
SCHEMBL22387795 0.87 CASP3 (0.45) CASP3TLR2PTPN1FURIN
SCHEMBL10066102 0.87 CASP3 (0.45) CASP3TLR2PTPN1FURIN
SCHEMBL12944386 0.87 CASP3 (0.45) CASP3TLR2PTPN1FURIN
SCHEMBL84123 0.87 CASP3 (0.45) CASP3TLR2PTPN1FURIN
SCHEMBL31371875 0.87 CASP3 (0.45) CASP3TLR2PTPN1FURIN
SCHEMBL13044093 0.87 CASP3 (0.45) CASP3TLR2PTPN1FURIN
SCHEMBL13830419 0.87 CASP3 (0.45) CASP3TLR2PTPN1FURIN
SCHEMBL22690415 0.86 MDM2 (0.46) CASP3TLR2MDM2

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-2024131843-A1 ANTIBODY-DRUG CONJUGATE, PREPARATION METHOD THEREFOR, AND USE THEREOF 苏州宜联生物医药有限公司 2024-06-27 — — WO disclosed
Send feedback