SCHEMBL25148526

SCHEMBL25148526

CCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.53
▸ CTSL P07711 1/20 0.53
▸ CTSB P07858 1/20 0.53
▸ OPRD1 P41143 5/20 0.51
▸ OPRM1 P35372 4/20 0.51
▸ PSMB5 P28074 1/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ ACE P12821 3/20 0.50
▸ MME P08473 5/20 0.49
▸ CTSK P43235 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ECE1 P42892 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ NPEPPS P55786 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL27101824 0.92 CTSS (0.53) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL25773989 0.91 CTSS (0.52) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL18515624 0.89 OPRD1 (0.53) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL27337756 0.88 CTSS (0.49) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL18515816 0.88 OPRD1 (0.57) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL29590936 0.87 OPRD1 (0.51) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL21437346 0.87 OPRD1 (0.51) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL29714770 0.87 OPRD1 (0.51) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL30939437 0.87 OPRD1 (0.51) CTSSCTSLCTSBOPRD1OPRM1
SCHEMBL31170899 0.86 OPRD1 (0.53) CTSSCTSLCTSBOPRD1OPRM1

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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