SCHEMBL30483724

SCHEMBL30483724

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.44
▸ APLNR P35414 1/20 0.42
▸ NAA50 Q9GZZ1 1/20 0.40
▸ MMP3 P08254 2/20 0.39
▸ CAPN1 P07384 2/20 0.39
▸ PSMB9 P28065 3/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ OPRD1 P41143 1/20 0.38
▸ NTSR1 P30989 1/20 0.38

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
SCHEMBL30099624 0.95 REN (0.42) RENAPLNRNAA50MMP3CAPN1
SCHEMBL31419720 0.95 APLNR (0.44) RENAPLNRNAA50MMP3CAPN1
SCHEMBL29407478 0.93 REN (0.44) RENAPLNRNAA50MMP3CAPN1
SCHEMBL29699495 0.92 KMT2A (0.43) RENAPLNRNAA50MMP3CAPN1
SCHEMBL29945583 0.91 REN (0.42) RENAPLNRNAA50MMP3CAPN1
SCHEMBL30099417 0.91 REN (0.41) RENAPLNRNAA50MMP3CAPN1
SCHEMBL31748807 0.91 NTSR1 (0.43) RENAPLNROPRD1NTSR1
SCHEMBL30099452 0.88 KMT2A (0.40) RENAPLNRNAA50MMP3CAPN1
SCHEMBL30468684 0.88 APLNR (0.43) RENAPLNRNAA50MMP3CAPN1
SCHEMBL30430384 0.87 OPRM1 (0.45) RENAPLNRNAA50CAPN1KMT2A

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
CN-116265029-A Responsive photosensitizer and preparation method and application thereof 华东师范大学 2023-06-20 — — CN disclosed
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