SCHEMBL30760153

SCHEMBL30760153

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(-c2ccncc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VHL P40337 12/20 0.40
ELOC Q15369 2/20 0.37
ELOB Q15370 2/20 0.37
CMA1 P23946 6/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL30760086 0.92 VHL (0.47) VHLELOCELOBCMA1
SCHEMBL30760163 0.91 VHL (0.40) VHLELOCELOBCMA1
SCHEMBL30760125 0.90 CMA1 (0.41) VHLCMA1CASP1
SCHEMBL30760106 0.88 VHL (0.41) VHLCMA1CASP1
SCHEMBL30759956 0.88 VHL (0.43) VHLELOCELOBCMA1CASP1
SCHEMBL30760164 0.88 CYP3A4 (0.43) VHLELOCELOB
SCHEMBL30759998 0.88 VHL (0.42) VHLELOCELOBCMA1CASP1
SCHEMBL30760084 0.87 VHL (0.42) VHLELOCELOBCMA1CASP1
SCHEMBL30760030 0.87 VHL (0.45) VHLELOCELOB
SCHEMBL30759974 0.86 VHL (0.45) 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