SCHEMBL26326569

SCHEMBL26326569

OCC(O)COc1ccc(C(c2ccc(O)cc2)C(c2ccc(OCC(O)CO)cc2)c2ccc(OCC(O)CO)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.51
PTGS1 P23219 1/20 0.51
ADRB3 P13945 9/20 0.48
ADRB2 P07550 6/20 0.48
ADRB1 P08588 5/20 0.48
AR P10275 1/20 0.48
ALDH2 P05091 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.45
BACE1 P56817 1/20 0.43
KCNH2 Q12809 2/20 0.41
HIF1A Q16665 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
DRD1 P21728 1/20 0.41

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
SCHEMBL26326216 0.93 AR (0.53) ARMAPK1TSHRMEN1CYP1A2
SCHEMBL11247517 0.91 PTGS1 (0.59) SLC6A2PTGS1ADRB3ADRB2ADRB1
SCHEMBL43535 0.91 PTGS1 (0.59) SLC6A2PTGS1ADRB3ADRB2ADRB1
SCHEMBL10492919 0.89 PTGS1 (0.57) SLC6A2PTGS1ADRB3ADRB2ADRB1
SCHEMBL27684651 0.86 MAOA (0.54) SLC6A2PTGS1ADRB3ADRB2ADRB1
SCHEMBL15500156 0.86 PTGS1 (0.54) SLC6A2PTGS1ADRB3ADRB2ADRB1
SCHEMBL6228324 0.83 AR (0.61) ARMAPK1TSHRMEN1CYP1A2
SCHEMBL24369885 0.83 BACE1 (0.59) SLC6A2PTGS1ADRB3ADRB2ADRB1
SCHEMBL31213834 0.82 AR (0.53) ARMAPK1TSHRMEN1CYP1A2
SCHEMBL10490309 0.81 PTGS1 (0.65) SLC6A2PTGS1ADRB3ADRB2ADRB1

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-11768436-B2 Protective film forming composition having a diol structure NISSAN CHEMICAL CORPORATION (JP) 2023-09-26 US disclosed