SCHEMBL7701403

SCHEMBL7701403

CC(C)(C)[Si](Oc1[c]cc(OC[C@@H]2CO2)cc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 4/20 0.44
TP53 P04637 3/20 0.44
TSHR P16473 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP1A2 P05177 1/20 0.44
PPARG P37231 1/20 0.44
GLA P06280 1/20 0.40
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL7091992 0.84 MEN1 (0.60) MEN1KMT2ATDP1ALDH1A1TP53
SCHEMBL7094384 0.84 MEN1 (0.60) MEN1KMT2ATDP1ALDH1A1TP53
SCHEMBL7091971 0.83 MEN1 (0.59) MEN1KMT2ATDP1ALDH1A1TP53
SCHEMBL7092621 0.81 ALDH1A1 (0.42) MEN1KMT2ATDP1ALDH1A1TP53
SCHEMBL7092618 0.81 MEN1 (0.43) MEN1KMT2ATDP1ALDH1A1TP53
SCHEMBL7094997 0.79 ALDH1A1 (0.60) MEN1KMT2ATDP1ALDH1A1TP53
SCHEMBL7093767 0.79 ALDH1A1 (0.60) MEN1KMT2ATDP1ALDH1A1TP53
SCHEMBL7094998 0.77 ALDH1A1 (0.54) MEN1KMT2ATDP1ALDH1A1TP53
SCHEMBL7695325 0.77 ALDH1A1 (0.54) MEN1KMT2ATDP1ALDH1A1TP53
SCHEMBL7095297 0.76 MEN1 (0.48) MEN1KMT2ATDP1ALDH1A1TP53

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-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed