SCHEMBL1900888

SCHEMBL1900888

CC(c1ccccc1)C(O)c1ccc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.63
SLC6A2 P23975 12/20 0.54
SLC6A4 P31645 12/20 0.54
SLC6A3 Q01959 12/20 0.54
KCNH2 Q12809 7/20 0.54
CYP2D6 P10635 4/20 0.54
CYP3A4 P08684 2/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
AOC3 Q16853 1/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL3151796 0.84 UGT2B7 (0.73) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
Hydrogen Peroxide SCHEMBL8096014 0.80 UGT2B7 (0.72) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2483568 0.80 KDM4E (0.62) SLC6A4CYP2D6CYP3A4MEN1KMT2A
SCHEMBL12581063 0.80 KDM4E (0.62) SLC6A4CYP2D6CYP3A4MEN1KMT2A
SCHEMBL791742 0.80 KDM4E (0.62) SLC6A4CYP2D6CYP3A4MEN1KMT2A
SCHEMBL16174384 0.80 KDM4E (0.62) SLC6A4CYP2D6CYP3A4MEN1KMT2A
SCHEMBL8230082 0.80 KDM4E (0.62) SLC6A4CYP2D6CYP3A4MEN1KMT2A
SCHEMBL16172571 0.80 KDM4E (0.62) SLC6A4CYP2D6CYP3A4MEN1KMT2A
SCHEMBL12435784 0.80 KDM4E (0.62) SLC6A4CYP2D6CYP3A4MEN1KMT2A
SCHEMBL5032107 0.79 UGT2B7 (0.66) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011056788-A2 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2011-05-12 WO claimed
US-20120220665-A1 Inhibiting Neurotransmitter Reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2012-08-30 US disclosed
WO-2011056788-A2 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2011-05-12 WO disclosed