SCHEMBL3685751

SCHEMBL3685751

COCC[C@H](OC)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.54
SLC6A4 P31645 4/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 1/20 0.40
ALOX15 P16050 1/20 0.38
ADRB2 P07550 1/20 0.38
UTS2R Q9UKP6 3/20 0.37
GAA P10253 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL3685753 1.00 AOC3 (0.54) AOC3SLC6A4SLC6A2SLC6A3ALOX15
SCHEMBL7197211 0.89 AOC3 (0.51) AOC3SLC6A4SLC6A2SLC6A3ALOX15
SCHEMBL31737779 0.84 AOC3 (0.58) AOC3SLC6A4SLC6A2SLC6A3ALOX15
SCHEMBL5662767 0.82 AOC3 (0.56) AOC3SLC6A4SLC6A2ALOX15ADRB2
SCHEMBL6094770 0.82 AOC3 (0.37) AOC3SLC6A4SLC6A2UTS2RALDH1A1
SCHEMBL7113377 0.81 AOC3 (0.42) AOC3SLC6A4SLC6A2SLC6A3ALOX15
SCHEMBL21198899 0.81 AOC3 (0.59) AOC3SLC6A4SLC6A2SLC6A3ADRB2
SCHEMBL21199033 0.81 AOC3 (0.59) AOC3SLC6A4SLC6A2SLC6A3ADRB2
SCHEMBL3650398 0.81 AOC3 (0.59) AOC3SLC6A4SLC6A2SLC6A3ADRB2
SCHEMBL10887514 0.81 AOC3 (0.54) AOC3SLC6A4SLC6A2ALOX15ADRB2

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-20100292419-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2010-11-18 US disclosed