SCHEMBL27354682

SCHEMBL27354682

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 2/20 0.48
▸ CTSS P25774 2/20 0.48
▸ CTSL P07711 1/20 0.48
▸ MME P08473 5/20 0.47
▸ ACE P12821 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ECE1 P42892 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ NPEPPS P55786 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ OPRD1 P41143 5/20 0.47
▸ OPRM1 P35372 4/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ CTSK P43235 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
SCHEMBL25045555 0.96 CTSS (0.51) CTSBCTSSCTSLMMEACE
SCHEMBL24183746 0.87 OPRD1 (0.45) CTSBCTSSCTSLOPRD1OPRM1
SCHEMBL26154352 0.86 REN (0.45) CTSBCTSSCTSLOPRD1OPRM1
SCHEMBL24158538 0.86 ACE (0.49) CTSBCTSSCTSLMMEACE
SCHEMBL29590936 0.85 OPRD1 (0.51) CTSBCTSSCTSLMMEACE
SCHEMBL21437346 0.85 OPRD1 (0.51) CTSBCTSSCTSLMMEACE
SCHEMBL25148526 0.85 CTSS (0.53) CTSBCTSSCTSLMMEACE
SCHEMBL30939437 0.85 OPRD1 (0.51) CTSBCTSSCTSLMMEACE
SCHEMBL29714770 0.85 OPRD1 (0.51) CTSBCTSSCTSLMMEACE
SCHEMBL25148528 0.84 CTSL (0.49) CTSBCTSSCTSLMMEACE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1142935-C Comptothecin compounds and preparation thereof ������ҩ��ʽ���� 2004-03-24 — — CN disclosed
CN-1073113-C Camptothecin derivative and preparation method and application thereof TANABE SEIYAKU CO (JP) 2001-10-17 — — CN disclosed
CN-1300733-A Comptothecin compounds and preparation thereof TANABE SEIYAKU CO (JP) 2001-06-27 — — CN disclosed
CN-1158334-A Camptothecin derivatives TANABE SEIYAKU CO (JP) 1997-09-03 — — CN disclosed
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