SCHEMBL27359486

SCHEMBL27359486

CN[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(-c2c(F)cncc2F)cc1)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VHL P40337 20/20 0.50
ELOC Q15369 6/20 0.50
ELOB Q15370 6/20 0.50
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL27360238 0.90 VHL (0.46) VHLELOCELOB
SCHEMBL24757097 0.89 VHL (0.49) VHLELOCELOBHDAC3HDAC1
SCHEMBL24756803 0.89 VHL (0.46) VHLELOCELOBHDAC3HDAC1
SCHEMBL27359434 0.89 VHL (0.51) VHLELOCELOBHDAC3HDAC1
SCHEMBL30148969 0.85 VHL (0.46) VHLELOCELOBHDAC3HDAC1
SCHEMBL22565394 0.85 VHL (0.48) VHLELOCELOBHDAC3HDAC1
SCHEMBL22565403 0.83 VHL (0.51) VHLELOCELOBHDAC3HDAC1
SCHEMBL22565417 0.83 VHL (0.53) VHLELOCELOBHDAC3HDAC1
SCHEMBL26786695 0.82 VHL (0.51) VHLELOCELOB
SCHEMBL27359850 0.82 VHL (0.49) VHLELOCELOBHDAC3HDAC1

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