SCHEMBL13502575

SCHEMBL13502575

COc1ccc([C@]2(Br)OC[C@@H](CCl)O2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRND Q07001 1/20 0.35
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
PKM P14618 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TLR9 Q9NR96 1/20 0.33
HSD11B1 P28845 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL13502565 0.84 HSP90AA1 (0.38) MAOBMAOACHRNA1CHRNGCHRNB1
SCHEMBL12132814 0.83 MAOB (0.38) MAOBMAOACHRNA1CHRNGCHRNB1
SCHEMBL12132813 0.83 MAOB (0.38) MAOBMAOACHRNA1CHRNGCHRNB1
SCHEMBL13502568 0.83 HTR1A (0.36) ADRA1AADRA1BHTR1AADRA1D
SCHEMBL12132817 0.83 MAOB (0.36) MAOBMAOACHRNA1CHRNGCHRNB1
SCHEMBL13502567 0.81 HSD11B1 (0.33) MAOBMAOACHRNA1CHRNGCHRNB1
SCHEMBL13502571 0.78 HTR1A (0.34) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL12661565 0.76 SLC6A4 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL9488197 0.69 MAOB (0.38) MAOBMAOACHRNA1CHRNGCHRNB1
SCHEMBL13502564 0.69 CYP2C19 (0.36) SMN1; SMN2ALDH1A1OPRM1

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-2010013510-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND ダイソー株式会社 (JP) 2010-02-04 WO disclosed