SCHEMBL24625482

SCHEMBL24625482

COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@@H](c4ccc(CO[Si](C)(C)C(C)(C)C)cc4)C[C@H]3O[C@@H]2[C@@H]2OC(=O)[C@]3(C)C=CC(=O)[C@@]1(C)[C@@H]23

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RNF114 Q9Y508 3/20 0.73
BRD4 O60885 1/20 0.44
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL24625094 0.92 RNF114 (0.73) RNF114BRD4HSP90AA1
SCHEMBL24625292 0.92 RNF114 (0.73) RNF114BRD4HSP90AA1
SCHEMBL24625091 0.92 RNF114 (0.73) RNF114BRD4HSP90AA1
SCHEMBL24625130 0.90 RNF114 (0.82) RNF114BRD4HSP90AA1
SCHEMBL24625481 0.89 RNF114 (0.78) RNF114BRD4HSP90AA1
SCHEMBL24625369 0.86 RNF114 (0.70) RNF114BRD4HSP90AA1
SCHEMBL24625110 0.86 RNF114 (0.70) RNF114BRD4HSP90AA1
SCHEMBL24625344 0.85 RNF114 (0.68) RNF114BRD4HSP90AA1
Nimbolide SCHEMBL23483973 0.85 RNF114 (1.00) RNF114BRD4HSP90AA1
Nimbolide SCHEMBL21163877 0.85 RNF114 (1.00) RNF114BRD4HSP90AA1

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-2022150667-A1 NIMBOLIDE ANALOGS AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-07-14 WO disclosed