SCHEMBL30760106

SCHEMBL30760106

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CO)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VHL P40337 8/20 0.41
CMA1 P23946 9/20 0.39
KDM4D Q6B0I6 1/20 0.39
CASP1 P29466 1/20 0.38

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
SCHEMBL30759956 0.92 VHL (0.43) VHLCMA1CASP1
SCHEMBL30760086 0.89 VHL (0.47) VHLCMA1
SCHEMBL30759998 0.89 VHL (0.42) VHLCMA1CASP1
SCHEMBL30760150 0.89 VHL (0.44) VHLCMA1CASP1
SCHEMBL30760163 0.88 VHL (0.40) VHLCMA1
SCHEMBL30760153 0.88 VHL (0.40) VHLCMA1CASP1
SCHEMBL30760136 0.88 CYP1A2 (0.44) VHLKDM4D
SCHEMBL30759974 0.87 VHL (0.45) VHL
SCHEMBL30759975 0.87 VHL (0.45) VHL
SCHEMBL30760084 0.87 VHL (0.42) VHLCMA1CASP1

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