SCHEMBL30183471

SCHEMBL30183471

C[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.53
▸ CTSS P25774 3/20 0.53
▸ CTSK P43235 3/20 0.53
▸ CTSH P09668 1/20 0.53
▸ C5AR1 P21730 2/20 0.48
▸ CAPN1 P07384 2/20 0.48
▸ CTSB P07858 2/20 0.48
▸ CXCR4 P61073 1/20 0.47

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
SCHEMBL30880117 0.94 CTSL (0.56) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL29677279 0.87 DPP4 (0.48) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL31347814 0.86 C5AR1 (0.48) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30819262 0.86 CTSL (0.57) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30478003 0.85 DPP3 (0.52) CAPN1CTSB
SCHEMBL30355012 0.85 C5AR1 (0.63) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL31150419 0.84 CTSL (0.63) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30272509 0.84 CTSL (0.48) CTSLCTSSCTSKCTSH
SCHEMBL31031493 0.83 TRHR (0.42) CTSLCTSSCTSKCTSH
SCHEMBL29557726 0.83 BCHE (0.55) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023017115-A1 FRACTIONATION OF CELLS BASED ON A MARKER PROTEIN IBA LIFESCIENCES GMBH (DE) 2023-02-16 — — WO claimed
US-20230181641-A1 PROCESS FOR PRODUCING DONOR-BATCHED CELLS EXPRESSING A RECOMBINANT RECEPTOR JUNO THERAPEUTICS, INC. (US) 2023-06-15 — — US disclosed
WO-2023017115-A1 FRACTIONATION OF CELLS BASED ON A MARKER PROTEIN IBA LIFESCIENCES GMBH (DE) 2023-02-16 — — WO disclosed
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