SCHEMBL30760152

SCHEMBL30760152

CC(C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CO)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VHL P40337 18/20 0.44
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
ELOC Q15369 1/20 0.37
ELOB Q15370 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL30760003 0.91 VHL (0.46) VHLDPP4DPP7ELOCELOB
SCHEMBL30760062 0.89 VHL (0.44) VHLDPP4DPP7ELOCELOB
SCHEMBL27360151 0.89 VHL (0.46) VHLDPP4DPP7CASP1
SCHEMBL30760183 0.88 VHL (0.43) VHLELOCELOB
SCHEMBL30759978 0.88 VHL (0.43) VHLELOCELOB
SCHEMBL30760108 0.87 VHL (0.47) VHLELOCELOB
SCHEMBL30760148 0.86 VHL (0.43) VHLELOCELOB
SCHEMBL30759968 0.85 VHL (0.43) VHLDPP4DPP7ELOCELOB
SCHEMBL30760110 0.85 VHL (0.48) VHLELOCELOB
SCHEMBL30760049 0.84 VHL (0.43) VHLDPP4DPP7ELOCELOB

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