SCHEMBL8938866

SCHEMBL8938866

CN(C)c1ccc(C2CCc3cc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
MDM4 O15151 2/20 0.33
MDM2 Q00987 2/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 1/20 0.32
TP53 P04637 1/20 0.31
CYP19A1 P11511 3/20 0.31
LMNA P02545 1/20 0.30
CYP17A1 P05093 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL8990537 0.80 GAA (0.40) GAAALDH1A1MAPK1MDM4MDM2
SCHEMBL8938880 0.72 IGF1R (0.54) GAAALDH1A1MAPK1CYP3A4
SCHEMBL8938909 0.68 CYP3A4 (0.35) ALDH1A1CYP3A4
SCHEMBL28129775 0.68 SIGMAR1 (0.55) ALDH1A1MAPK1
SCHEMBL10450802 0.63 CA12 (0.43) CYP19A1
SCHEMBL27880552 0.63 CYP26A1 (0.39) ALDH1A1CYP3A4CYP2D6
SCHEMBL21962100 0.62
SCHEMBL8085206 0.62 SLC6A2 (0.44) CYP3A4CYP2D6
SCHEMBL30789061 0.61 GAA (0.97) GAAALDH1A1MAPK1LMNA
SCHEMBL30789060 0.61 GAA (0.97) GAAALDH1A1MAPK1LMNA

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
US-5543298-A ADDING SPECIFIED COMPOUND TO LIQUID SAMPLE, MEASURING RATE OF AUTOOXIDATION SPECTROPHOTOMETRICALLY OXIS INTERNATIONAL S.A. (FR) 1996-08-06 US disclosed