SCHEMBL8536948

SCHEMBL8536948

O=C(O)CC(C[AsH2])c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.66
GABBR1 Q9UBS5 4/20 0.66
MAPT P10636 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
RECQL P46063 1/20 0.49
LMNA P02545 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
NFKB1 P19838 1/20 0.46
DRD3 P35462 1/20 0.46
BLM P54132 1/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL3728800 0.89 GABBR2 (0.68) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL503819 0.87 GABBR2 (0.76) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL6734410 0.85 GABBR2 (0.73) GABBR2GABBR1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7092228 0.85 GABBR2 (0.73) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL4034402 0.82 GABBR2 (0.69) GABBR2GABBR1MEN1KMT2ALMNA
SCHEMBL2484805 0.79 GABBR2 (0.66) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL4175640 0.79 GABBR2 (0.66) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL4177024 0.79 GABBR2 (0.66) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL5236670 0.79 GABBR2 (0.66) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL6174106 0.79 GABBR2 (0.66) GABBR2GABBR1MAPTMEN1KMT2A

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-2012071027-A2 NUTRACEUTICAL BASED TOPICAL ANXIOLYTIC AGENT AND METHOD OF USE SOLACE LIFESCIENCES, INC. (US) 2012-05-31 WO disclosed