SCHEMBL32689781

SCHEMBL32689781

C[C@@H](O)[C@H](N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 8/20 0.57
▸ CTSB P07858 3/20 0.53
▸ GRB2 P62993 1/20 0.46
▸ ACE P12821 5/20 0.42
▸ REN P00797 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PEPD P12955 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ACE2 Q9BYF1 1/20 0.42

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
SCHEMBL32689777 0.94 CAPN1 (0.57) CAPN1CTSBGRB2XIAP
SCHEMBL30123097 0.92 ACE (0.49) CAPN1ACERENKDM4EF2
SCHEMBL29630498 0.90 CAPN1 (0.51) CAPN1CTSBGRB2XIAP
SCHEMBL32689778 0.87 CAPN1 (0.51) CAPN1CTSBGRB2
SCHEMBL32689776 0.87 CAPN1 (0.51) CAPN1CTSBGRB2
SCHEMBL29630574 0.87 CAPN1 (0.49) CAPN1CTSBGRB2XIAP
SCHEMBL29679608 0.86 CAPN1 (0.49) CAPN1CTSBGRB2ACEREN
SCHEMBL30578363 0.86 CAPN1 (0.62) CAPN1CTSBGRB2XIAP
SCHEMBL29630674 0.86 CAPN1 (0.53) CAPN1CTSBGRB2XIAP
SCHEMBL30903582 0.84 CAPN1 (0.62) CAPN1CTSBGRB2XIAP

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
EP-4039710-B1 ANTI-CD3 ANTIBODIES, ANTI-CD123 ANTIBODIES AND BISPECIFIC ANTIBODIES SPECIFICALLY BINDING TO CD3 AND/OR CD123 SANOFI SA (FR) 2026-03-25 — — EP disclosed
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