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Sugi Predict / Compounds / SCHEMBL25457918

SCHEMBL25457918

SCHEMBL25457918

CNC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(C)O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 8/20 0.51
▸ RAMP3 O60896 7/20 0.47
▸ CALCR P30988 7/20 0.47
▸ CAPN1 P07384 3/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ APLNR P35414 1/20 0.42

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
SCHEMBL25962168 0.90 KEAP1 (0.49) KEAP1RAMP3CALCRCAPN1STAT3
SCHEMBL15819712 0.88 KEAP1 (0.50) KEAP1RAMP3CALCRCAPN1STAT3
SCHEMBL31433177 0.87 KEAP1 (0.50) KEAP1RAMP3CALCRCAPN1STAT3
SCHEMBL25961877 0.87 KEAP1 (0.47) KEAP1RAMP3CALCRCAPN1STAT3
SCHEMBL12060570 0.86 KEAP1 (0.48) KEAP1RAMP3CALCRCAPN1STAT3
SCHEMBL26186023 0.85 KEAP1 (0.49) KEAP1RAMP3CALCRCAPN1STAT3
SCHEMBL30335608 0.85 KEAP1 (0.49) KEAP1RAMP3CALCRCAPN1STAT3
SCHEMBL26186082 0.85 KEAP1 (0.49) KEAP1RAMP3CALCRCAPN1STAT3
SCHEMBL26260500 0.84 RAMP3 (0.47) KEAP1RAMP3CALCRSTAT3
SCHEMBL25963891 0.83 RAMP3 (0.50) KEAP1RAMP3CALCRSTAT3

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
WO-2023081809-A1 TRANS-CYCLOOCTENE-MODIFIED BISPECIFIC ANTIBODIES TAMBO, INC. (US) 2023-05-11 — — WO disclosed
WO-2023077129-A1 TETRAZINE CONJUGATES FOR IN VIVO TARGETED DELIVERY OF A PAYLOAD TAMBO, INC. (US) 2023-05-04 — — WO disclosed
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