SCHEMBL30773477

SCHEMBL30773477

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.53
▸ TLR2 O60603 2/20 0.49
▸ PTPN1 P18031 5/20 0.48
▸ MDM2 Q00987 4/20 0.46
▸ CTSB P07858 2/20 0.44
▸ CTSK P43235 2/20 0.44
▸ GRB2 P62993 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
SCHEMBL29389331 0.95 CASP3 (0.57) CASP3TLR2MDM2
SCHEMBL21738585 0.95 CASP3 (0.57) CASP3TLR2MDM2
Hydrochloric Acid SCHEMBL21802658 0.94 CASP3 (0.56) CASP3TLR2MDM2
Hydrochloric Acid SCHEMBL21802660 0.94 CASP3 (0.56) CASP3TLR2MDM2
SCHEMBL31138047 0.94 TLR2 (0.55) TLR2PTPN1MDM2GRB2
SCHEMBL30424779 0.94 TLR2 (0.55) TLR2PTPN1MDM2GRB2
SCHEMBL29414974 0.94 TLR2 (0.55) TLR2PTPN1MDM2GRB2
SCHEMBL30749154 0.94 TLR2 (0.55) TLR2PTPN1MDM2GRB2
SCHEMBL30718910 0.93 TLR2 (0.49) CASP3TLR2PTPN1MDM2
SCHEMBL30586942 0.91 CASP3 (0.54) 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
CN-110582514-B Conjugates of plasmin cleavable antibodies against insoluble fibrin with drugs 国立研究开发法人国立癌症研究中心 2024-03-01 — — CN disclosed
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