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SCHEMBL25856310

SCHEMBL25856310

Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)C(C)(C)C)cc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VHL P40337 18/20 0.78
▸ ELOC Q15369 9/20 0.78
▸ ELOB Q15370 9/20 0.78
▸ STAT3 P40763 1/20 0.60
▸ GRAMD1A Q96CP6 1/20 0.56
▸ ABL1 P00519 1/20 0.56
▸ BCR P11274 1/20 0.56

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
SCHEMBL25855799 0.99 VHL (0.76) VHLELOCELOBSTAT3ABL1
SCHEMBL24357872 0.98 VHL (0.75) VHLELOCELOBSTAT3
SCHEMBL25856107 0.98 VHL (0.75) VHLELOCELOBSTAT3
SCHEMBL23431295 0.98 VHL (0.75) VHLELOCELOBSTAT3
SCHEMBL25856131 0.98 VHL (0.74) VHLELOCELOBSTAT3
SCHEMBL23431473 0.98 VHL (0.74) VHLELOCELOBSTAT3
SCHEMBL23772458 0.97 VHL (0.74) VHLELOCELOBSTAT3GRAMD1A
SCHEMBL25781146 0.97 VHL (0.74) VHLELOCELOBSTAT3GRAMD1A
SCHEMBL22511940 0.97 VHL (0.73) VHLELOCELOBSTAT3ABL1
SCHEMBL21401466 0.96 VHL (0.73) VHLELOCELOBSTAT3GRAMD1A

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
EP-3609889-B1 SMALL MOLECULES UNIV DUNDEE (GB) 2023-07-05 — — EP disclosed