SCHEMBL3393471

SCHEMBL3393471

Oc1ccc(C(c2ccc(OCC(O)COc3ccc(Cc4ccc(OCC5CO5)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
PPARG P37231 1/20 0.44
HIF1A Q16665 1/20 0.44
BACE1 P56817 1/20 0.42
ADRB3 P13945 10/20 0.40
ADRB2 P07550 8/20 0.40
ADRB1 P08588 6/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CACNA1G O43497 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 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
SCHEMBL13764134 0.90 HPGD (0.54) HPGDTP53MAPTTSHRMEN1
SCHEMBL3389530 0.87 MEN1 (0.42) HPGDTP53MAPTTSHRMEN1
SCHEMBL9446386 0.84 TDP1 (0.51) HPGDTP53MAPTTSHRMEN1
SCHEMBL13006662 0.82 KMT2A (0.68) HPGDTP53MAPTTSHRMEN1
SCHEMBL13343654 0.81 KMT2A (0.70) HPGDTP53MAPTTSHRMEN1
SCHEMBL7576096 0.80 TDP1 (0.56) HPGDTP53MAPTTSHRMEN1
SCHEMBL195075 0.80 ALDH1A1 (0.66) HPGDTP53MAPTTSHRMEN1
SCHEMBL20052299 0.79 TP53 (0.48) HPGDTP53MAPTTSHRMEN1
SCHEMBL26218755 0.79 TDP1 (0.46) HPGDTP53MAPTTSHRMEN1
SCHEMBL19194424 0.79 MAPT (0.46) HPGDTP53MAPTTSHRMEN1

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-7699916-B1 Corrosion-resistant, electrically-conductive plate for use in a fuel cell stack THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 2010-04-20 US disclosed