SCHEMBL30725658

SCHEMBL30725658

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.56
▸ ECE1 P42892 13/20 0.53

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
SCHEMBL30051762 0.95 ACE (0.56) ACEECE1
SCHEMBL30725664 0.90 ACE (0.70) ACEECE1
SCHEMBL30838790 0.90 ACE (0.67) ACEECE1
SCHEMBL7397063 0.88 ACE (0.58) ACEECE1
SCHEMBL7397057 0.88 ACE (0.58) ACEECE1
SCHEMBL30052548 0.86 CTSC (0.64) ACEECE1
SCHEMBL30051826 0.86 ACE (0.68) ACEECE1
SCHEMBL30052328 0.84 ACE (0.60) ACEECE1
SCHEMBL7394083 0.84 ACE (0.54) ACEECE1
SCHEMBL7446375 0.84 ACE (0.54) ACEECE1

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-117642418-A Probes and kit for early diagnosis of diffuse large B cell lymphoma 京东方科技集团股份有限公司 2024-03-01 — — CN claimed
WO-2024000262-A1 PROBE AND KIT FOR EARLY DIAGNOSIS OF DIFFUSE LARGE B-CELL LYMPHOMA 京东方科技集团股份有限公司 2024-01-04 — — WO claimed
CN-117642418-A Probes and kit for early diagnosis of diffuse large B cell lymphoma 京东方科技集团股份有限公司 2024-03-01 — — CN disclosed
WO-2024000262-A1 PROBE AND KIT FOR EARLY DIAGNOSIS OF DIFFUSE LARGE B-CELL LYMPHOMA 京东方科技集团股份有限公司 2024-01-04 — — WO disclosed
Send feedback