SCHEMBL3389530

SCHEMBL3389530

Oc1ccccc1C(c1ccc(OCC(O)COc2ccc(Cc3ccc(OCC4CO4)cc3)cc2)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 3/20 0.40
TSHR P16473 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HIF1A Q16665 2/20 0.40
PPARG P37231 2/20 0.40
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
BACE1 P56817 2/20 0.36
MGLL Q99685 2/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
SCN1A P35498 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
CACNA1G O43497 1/20 0.34
GAA P10253 2/20 0.33

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
SCHEMBL3393471 0.87 HPGD (0.44) MEN1KMT2ATP53TSHRMAPT
SCHEMBL13764134 0.83 HPGD (0.54) MEN1KMT2ATP53TSHRMAPT
SCHEMBL9446386 0.80 TDP1 (0.51) MEN1KMT2ATP53TSHRMAPT
SCHEMBL12927406 0.79 KMT2A (0.60) MEN1KMT2ATP53TSHRMAPT
SCHEMBL13006662 0.78 KMT2A (0.68) MEN1KMT2ATP53TSHRMAPT
SCHEMBL20052299 0.75 TP53 (0.48) MEN1KMT2ATP53TSHRMAPT
SCHEMBL26218755 0.75 TDP1 (0.46) MEN1KMT2ATP53TSHRMAPT
SCHEMBL20030201 0.74 ALDH1A1 (0.52) MEN1KMT2ATP53TSHRMAPT
SCHEMBL14550289 0.74 TDP1 (0.45) MEN1KMT2ATP53TSHRMAPT
SCHEMBL14550342 0.74 TDP1 (0.45) MEN1KMT2ATP53TSHRMAPT

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