SCHEMBL8133606

SCHEMBL8133606

CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)Oc1ccccc1C2(C(=O)O)[Si](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA9 Q16790 4/20 0.38
CYP3A4 P08684 1/20 0.34
PREP P48147 4/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
GSTP1 P09211 1/20 0.33
NR3C1 P04150 1/20 0.31

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
SCHEMBL8142716 0.93 CA12 (0.38) MEN1USP2ALDH1A1LMNAMAPT
SCHEMBL7599603 0.89 MEN1 (0.38) MEN1USP2ALDH1A1LMNAMAPT
SCHEMBL8142229 0.82 HSP90AA1 (0.36) MEN1USP2ALDH1A1LMNAMAPT
SCHEMBL13871201 0.77 CA12 (0.39) MEN1USP2ALDH1A1LMNAMAPT
SCHEMBL27392258 0.75 CYP3A4 (0.41) MEN1USP2ALDH1A1LMNAMAPT
SCHEMBL30829199 0.75 CYP3A4 (0.41) MEN1USP2ALDH1A1LMNAMAPT
SCHEMBL12909294 0.75 CA12 (0.38) MEN1USP2ALDH1A1LMNAMAPT
SCHEMBL8142231 0.74 L3MBTL1 (0.32) HSP90AA1HSP90AB1
SCHEMBL30829200 0.73 CYP3A4 (0.65) MEN1USP2ALDH1A1LMNAMAPT
SCHEMBL27392150 0.73 CYP3A4 (0.65) 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
US-6162610-A Xanthan-ester and acridan substrates for horseradish peroxidase TROPIX, INC. (US) 2000-12-19 US disclosed