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SCHEMBL31000892

SCHEMBL31000892

CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.61
▸ KDM1A O60341 3/20 0.60
▸ TFPI P10646 1/20 0.59
▸ MAPK8 P45983 1/20 0.59
▸ MAPK9 P45984 1/20 0.59
▸ MAPK10 P53779 1/20 0.59
▸ PTH1R Q03431 4/20 0.57
▸ VIPR2 P41587 4/20 0.57
▸ VIPR1 P32241 3/20 0.57
▸ MAOB P27338 1/20 0.57
▸ KDM5A P29375 1/20 0.57
▸ KDM1B Q8NB78 1/20 0.57
▸ NPY1R P25929 1/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ NPY4R P50391 1/20 0.55
▸ NPY5R Q15761 1/20 0.55

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
SCHEMBL30432166 0.95 KEAP1 (0.65) KEAP1KDM1ATFPIMAPK8MAPK9
SCHEMBL30906440 0.92 KEAP1 (0.68) KEAP1KDM1ATFPIMAPK8MAPK9
SCHEMBL30262135 0.89 KDM1A (0.63) KEAP1KDM1ATFPIVIPR2VIPR1
SCHEMBL30906548 0.88 KEAP1 (0.72) KEAP1KDM1AMAPK8MAPK9MAPK10
SCHEMBL31455209 0.88 KEAP1 (0.59) KEAP1KDM1ATFPIMAPK8MAPK9
SCHEMBL30906447 0.88 KEAP1 (0.66) KEAP1KDM1ATFPIMAPK8MAPK9
SCHEMBL31688328 0.88 TFPI (0.59) KEAP1KDM1ATFPIMAPK8MAPK9
SCHEMBL31027109 0.88 KEAP1 (0.64) KEAP1KDM1ATFPIMAPK8MAPK9
SCHEMBL30824283 0.87 KEAP1 (0.71) KEAP1MAPK8MAPK9MAPK10PTH1R
SCHEMBL30495695 0.87 KEAP1 (0.61) KEAP1PTH1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630447-A2 ANTIBODIES OR FRAGMENTS THEREOF FOR SARS-COV-2 AND VARIANTS THEREOF Abwiz Bio, Inc. (US) 2025-10-15 — — EP disclosed
WO-2024124241-A2 ANTIBODIES OR FRAGMENTS THEREOF FOR SARS-COV-2 AND VARIANTS THEREOF ABWIZ BIO, INC. (US) 2024-06-13 — — WO disclosed
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