SCHEMBL30760089

SCHEMBL30760089

CC(C)[C@H](N=[N+]=[N-])C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CO)c1ccc(-c2ncccc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VHL P40337 20/20 0.42
ELOC Q15369 1/20 0.35
ELOB Q15370 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL30760137 0.90 VHL (0.46) VHLELOCELOB
SCHEMBL30760018 0.90 VHL (0.46) VHLELOCELOB
SCHEMBL30760102 0.89 VHL (0.44) VHLELOCELOBHDAC3HDAC1
SCHEMBL30760040 0.89 VHL (0.46) VHLELOCELOBHDAC3HDAC1
SCHEMBL30760175 0.89 VHL (0.42) VHLELOCELOB
SCHEMBL30759919 0.87 VHL (0.42) VHLELOCELOB
SCHEMBL30760148 0.86 VHL (0.43) VHLELOCELOB
SCHEMBL30760065 0.86 VHL (0.41) VHLELOCELOB
SCHEMBL30759995 0.86 VHL (0.41) VHLELOCELOB
SCHEMBL30760093 0.85 VHL (0.40) VHLELOCELOB

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
WO-2024040080-A1 KRAS INHIBITOR CONJUGATES ERASCA, INC. (US) 2024-02-22 WO disclosed