SCHEMBL30760150

SCHEMBL30760150

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(-c2ncccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VHL P40337 11/20 0.44
CASP1 P29466 1/20 0.39
CMA1 P23946 6/20 0.38
ELANE P08246 1/20 0.38
ELOC Q15369 1/20 0.38
ELOB Q15370 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
SCHEMBL30759974 0.91 VHL (0.45) VHLELOCELOB
SCHEMBL30759975 0.91 VHL (0.45) VHLELOCELOB
SCHEMBL30760094 0.90 VHL (0.42) VHLCASP1CMA1ELANEELOC
SCHEMBL30760084 0.90 VHL (0.42) VHLCASP1CMA1ELANEELOC
SCHEMBL30760131 0.89 VHL (0.46) VHLELOCELOB
SCHEMBL30760106 0.89 VHL (0.41) VHLCASP1CMA1
SCHEMBL30759956 0.88 VHL (0.43) VHLCASP1CMA1ELANEELOC
SCHEMBL30759998 0.88 VHL (0.42) VHLCASP1CMA1ELOCELOB
SCHEMBL30760060 0.87 CYP1A2 (0.46) VHLELOCELOB
SCHEMBL30760125 0.87 CMA1 (0.41) VHLCASP1CMA1ELANE

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