SCHEMBL6215535

SCHEMBL6215535

CC[C@@H](N[C@H](C)c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ADRB2 P07550 1/20 0.47
PTGS2 P35354 1/20 0.47
OPRK1 P41145 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
ADRA2C P18825 2/20 0.47
CHRM2 P08172 1/20 0.47
ADRA1A P35348 1/20 0.47
RGS12 O14924 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL5078354 1.00 AOC3 (0.53) AOC3MEN1KMT2AADRB2PTGS2
SCHEMBL6215546 1.00 AOC3 (0.53) AOC3MEN1KMT2AADRB2PTGS2
SCHEMBL30687874 0.79 AOC3 (0.58) AOC3MEN1KMT2ASLC6A3ADRA2C
SCHEMBL4270797 0.79 AOC3 (0.58) AOC3MEN1KMT2ASLC6A3ADRA2C
SCHEMBL14065371 0.79 AOC3 (0.58) AOC3MEN1KMT2ASLC6A3ADRA2C
SCHEMBL5174606 0.79 AOC3 (0.58) AOC3MEN1KMT2ASLC6A3ADRA2C
SCHEMBL5076475 0.77 ADRA2C (0.64) MEN1KMT2AADRB2OPRK1SLC6A3
SCHEMBL13431479 0.76 MEN1 (0.45) MEN1KMT2ASLC6A3SIGMAR1CHRM2
SCHEMBL13431478 0.76 MEN1 (0.45) MEN1KMT2ASLC6A3SIGMAR1CHRM2
SCHEMBL13460606 0.76 UGCG (0.54) MEN1KMT2ACYP3A4CYP2D6CYP2C9

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
EP-1512677-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE s-AMINO ALCOHOL KANEKA CORPORATION (JP) 2005-03-09 EP disclosed