SCHEMBL2805269

SCHEMBL2805269

OCCCCCCCCCCCCCCC(O)c1cc(O)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
TYR P14679 3/20 0.35
CNR1 P21554 1/20 0.34
NR1I2 O75469 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
MIF P14174 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRB3 P13945 1/20 0.33
ADRB2 P07550 1/20 0.33

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
SCHEMBL9150470 0.93 ADRA2A (0.38) ADRA2AADRA2BADRA2CTYRNR1I2
SCHEMBL2801986 0.88 TYR (0.36) ADRA2AADRA2BADRA2CTYRNR1I2
SCHEMBL11158917 0.84 TYR (0.49) ADRA2AADRA2BADRA2CTYRALDH1A1
SCHEMBL9150253 0.79 CYP3A4 (0.42) ADRA2AADRA2BADRA2CTYRNR1I2
SCHEMBL1115157 0.78 TSHR (0.42) ADRA2AADRA2BADRA2CALDH1A1LMNA
SCHEMBL7150196 0.75 TAAR1 (0.54) ADRA2AADRA2BADRA2CLMNAALOX15
SCHEMBL2987382 0.73 ADRA2A (0.43) ADRA2AADRA2BADRA2CTYRNR1I2
SCHEMBL28351212 0.73 TAAR1 (0.52) CNR1ALDH1A1LMNACYP2C9ALOX15
SCHEMBL2978320 0.72 DPP4 (0.44) ADRA2AADRA2BADRA2CLMNAALOX15
Monoethanolamine SCHEMBL11396682 0.70 ADRA2A (0.38) ADRA2AADRA2BADRA2CTYRNR1I2

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-2010128038-A1 HYDROQUINONE DERIVATIVES AXOGLIA THERAPEUTICS S.A. (LU) 2010-11-11 WO disclosed