SCHEMBL8513482

SCHEMBL8513482

CC(C)COC(=O)c1cccc2c1Cc1ccccc1O2.CC(C)OC(=O)c1cccc2c1Cc1ccccc1O2.[Na].[Na]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRPA1 O75762 4/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 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
SCHEMBL1692156 0.94 ALDH1A1 (0.55) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL4861748 0.93 ALDH1A1 (0.56) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL8062335 0.92 ALDH1A1 (0.55) ALDH1A1TSHRMAPTMEN1TP53
Potassium SCHEMBL8020995 0.92 ALDH1A1 (0.55) ALDH1A1TSHRMAPTMEN1TP53
SCHEMBL198743 0.91 NPC1 (0.44) ALDH1A1TP53KDM4ENPC1TRPA1
SCHEMBL3081197 0.90 NPC1 (0.45) ALDH1A1TP53KDM4ENPC1TRPA1
SCHEMBL8457648 0.89 NPC1 (0.44) ALDH1A1TP53KDM4ENPC1TRPA1
Potassium SCHEMBL6510254 0.89 NPC1 (0.44) ALDH1A1TP53KDM4ENPC1TRPA1
SCHEMBL350738 0.89 NPC1 (0.44) ALDH1A1MAPTKDM4ENPC1TRPA1
SCHEMBL7979443 0.89 NPC1 (0.44) ALDH1A1TP53KDM4ENPC1TRPA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045813-B2 Process for the selective removal of molybdenum from a solution containing it ENI S.P.A. (IT) 2015-06-02 US disclosed
EP-2643490-B1 PROCESS FOR THE SELECTIVE REMOVAL OF MOLYBDENUM FROM A SOLUTION CONTAINING IT ENI SPA (IT) 2015-01-07 EP disclosed
US-20140286839-A1 PROCESS FOR THE SELECTIVE REMOVAL OF MOLYBDENUM FROM A SOLUTION CONTAINING IT ENI S.P.A. (IT) 2014-09-25 US disclosed
EP-2643490-A1 PROCESS FOR THE SELECTIVE REMOVAL OF MOLYBDENUM FROM A SOLUTION CONTAINING IT ENI S.p.A. (IT) 2013-10-02 EP disclosed
WO-2012069625-A1 PROCESS FOR THE SELECTIVE REMOVAL OF MOLYBDENUM FROM A SOLUTION CONTAINING IT ENI S.P.A. (IT) 2012-05-31 WO disclosed