SCHEMBL30183179

SCHEMBL30183179

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.58
▸ CTSS P25774 3/20 0.58
▸ CTSK P43235 3/20 0.58
▸ CTSH P09668 1/20 0.58
▸ C5AR1 P21730 2/20 0.53
▸ CXCR4 P61073 7/20 0.50
▸ KISS1R Q969F8 2/20 0.48
▸ TUBB4A P04350 1/20 0.45
▸ TUBB P07437 1/20 0.45
▸ TUBA3C P0DPH7 1/20 0.45
▸ TUBA1B P68363 1/20 0.45
▸ TUBA4A P68366 1/20 0.45
▸ TUBB4B P68371 1/20 0.45
▸ TUBB3 Q13509 1/20 0.45
▸ TUBB2A Q13885 1/20 0.45
▸ TUBB8 Q3ZCM7 1/20 0.45
▸ TUBA3E Q6PEY2 1/20 0.45
▸ TUBA1A Q71U36 1/20 0.45
▸ TUBA1C Q9BQE3 1/20 0.45
▸ TUBB6 Q9BUF5 1/20 0.45

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
SCHEMBL31040596 0.96 CTSL (0.59) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL31150419 0.92 CTSL (0.63) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL31029901 0.90 CXCR4 (0.54) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL5405514 0.89 C5AR1 (0.62) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL5405522 0.89 C5AR1 (0.62) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL29677279 0.88 DPP4 (0.48) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL29513768 0.87 CTSL (0.62) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30542892 0.87 CTSL (0.65) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30776248 0.86 MC4R (0.45) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30609016 0.85 CTSL (0.60) CTSLCTSSCTSKCTSHC5AR1

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
WO-2023017115-A1 FRACTIONATION OF CELLS BASED ON A MARKER PROTEIN IBA LIFESCIENCES GMBH (DE) 2023-02-16 — — WO claimed
US-20240036053-A1 T CELL RECEPTORS AND PEPTIDES DERIVED BY MUTATIONS FOR THE TREATMENT OF CANCER TECHNISCHE UNIVERSITAET MUENCHEN (DE) 2024-02-01 — — US disclosed
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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