SCHEMBL25856131

SCHEMBL25856131

Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)COCCCCOCCCCOCCCCOCC(=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 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VHL P40337 18/20 0.74
ELOC Q15369 9/20 0.74
ELOB Q15370 9/20 0.74
STAT3 P40763 1/20 0.57
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57

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
SCHEMBL23431473 1.00 VHL (0.74) VHLELOCELOBSTAT3HDAC3
SCHEMBL25856107 0.99 VHL (0.75) VHLELOCELOBSTAT3HDAC3
SCHEMBL24357872 0.99 VHL (0.75) VHLELOCELOBSTAT3HDAC3
SCHEMBL24357762 0.99 VHL (0.72) VHLELOCELOBSTAT3HDAC3
SCHEMBL23431295 0.99 VHL (0.75) VHLELOCELOBSTAT3HDAC3
SCHEMBL23431341 0.99 VHL (0.72) VHLELOCELOBSTAT3HDAC3
SCHEMBL25856310 0.98 VHL (0.78) VHLELOCELOBSTAT3
SCHEMBL25855799 0.97 VHL (0.76) VHLELOCELOBSTAT3
SCHEMBL25855368 0.96 VHL (0.70) VHLELOCELOBSTAT3HDAC3
SCHEMBL25855581 0.95 VHL (0.72) VHLELOCELOBSTAT3HDAC3

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