SCHEMBL20457499

SCHEMBL20457499

C=CC(=O)OCC(O)COc1cccc(C(C)(C)c2cccc(OCC(O)COC(C)=O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
THRB P10828 1/20 0.38
HIF1A Q16665 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ABCB1 P08183 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 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
SCHEMBL16647277 0.95 THRB (0.41) ARADRB2ADRB1ADRB3THRB
SCHEMBL19154858 0.90 ADRB2 (0.43) ADRB2ADRB1ADRB3THRBTSHR
SCHEMBL23808215 0.90 ADRB2 (0.39) ADRB2ADRB1ADRB3THRBHIF1A
SCHEMBL19129048 0.89 SOD1 (0.43) ADRB2ADRB1ADRB3THRBHIF1A
SCHEMBL24310479 0.88 ADRB2 (0.38) ADRB2ADRB1ADRB3THRBHIF1A
SCHEMBL23808224 0.87 ADRB2 (0.36) ADRB2ADRB1ADRB3THRBHIF1A
SCHEMBL17930534 0.87 ADRB2 (0.39) ADRB2ADRB1ADRB3THRBHIF1A
SCHEMBL5081753 0.86 THRB (0.50) ARTHRBHIF1ALMNAPOLB
SCHEMBL5078308 0.86 THRB (0.50) ARTHRBHIF1ALMNAPOLB
SCHEMBL14173200 0.86 HTT (0.47) ARADRB2ADRB1ADRB3THRB

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-10040974-B2 Adhesives and related methods AVERY DENNISON CORPORATION (US) 2018-08-07 US disclosed