SCHEMBL29800924

SCHEMBL29800924

CSCC[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 1/20 0.39
▸ CTSL P07711 3/20 0.39
▸ CTSS P25774 3/20 0.39
▸ CTSK P43235 3/20 0.39
▸ FDFT1 P37268 2/20 0.38
▸ NAA50 Q9GZZ1 1/20 0.38
▸ CTSH P09668 1/20 0.38
▸ CCKBR P32239 4/20 0.37
▸ APLNR P35414 1/20 0.36
▸ REN P00797 1/20 0.36

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
SCHEMBL29814609 0.87 REN (0.41) FAPREN
SCHEMBL29800885 0.83 NAA50 (0.47) CTSLCTSSCTSKNAA50CTSH
SCHEMBL31067246 0.77 PTPN1 (0.43) NAA50APLNR
SCHEMBL5367479 0.76 F2 (0.42) REN
SCHEMBL29904041 0.75 APLNR (0.41) FAPNAA50APLNR
SCHEMBL29800494 0.75 OPRM1 (0.44) APLNR
SCHEMBL30493464 0.74 APLNR (0.42) FAPNAA50APLNR
SCHEMBL29801041 0.74 OPRM1 (0.55) —
SCHEMBL5495351 0.74 NAA50 (0.54) NAA50APLNR
SCHEMBL31297104 0.73 REN (0.46) FAPAPLNRREN

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-109422799-B Docetaxel liver cancer-resisting targeted prodrug and medicinal application thereof 复旦大学 2022-07-29 — — CN disclosed
Send feedback