SCHEMBL23749244

SCHEMBL23749244

CC(C)(C)OC(=O)c1cccc2c1C(=O)OC21c2ccc(O[Si](C)(C)C(C)(C)C)cc2C(C)(C)c2cc(O[Si](C)(C)C(C)(C)C)ccc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
RXRA P19793 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
CYP3A4 P08684 1/20 0.30
AR P10275 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
PREP P48147 1/20 0.30

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
SCHEMBL23749243 0.89 MEN1 (0.45) CA12CA1CA9MEN1USP2
SCHEMBL23749239 0.87 MEN1 (0.33) CA12CA1CA9MEN1USP2
SCHEMBL23749242 0.83 MAPT (0.39) MEN1USP2ALDH1A1LMNAMAPT
SCHEMBL20262989 0.82 LMNA (0.35) CA12CA1CA9MEN1USP2
SCHEMBL23749237 0.81 PDK2 (0.33) MEN1USP2ALDH1A1LMNAMAPT
SCHEMBL19849703 0.78 CYP3A4 (0.47) CA12CA1CA9MEN1USP2
SCHEMBL19844012 0.73 LMNA (0.44) CA12CA1CA9MEN1USP2
SCHEMBL23749241 0.73 FTO (0.53) MEN1USP2ALDH1A1LMNAMAPT
SCHEMBL23749240 0.71 ALDH1A1 (0.43) MEN1USP2ALDH1A1LMNAMAPT
SCHEMBL23749238 0.70 HSD11B1 (0.36) MEN1USP2ALDH1A1LMNAMAPT

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
EP-3865544-A1 FLUORESCENT RHODAMINE DYES WITH ENHANCED CELL PERMEABILITY Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-08-18 EP disclosed