SCHEMBL1152390

SCHEMBL1152390

C=CC(=O)OC(C)COC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.41
ADRB2 P07550 7/20 0.40
ADRB1 P08588 7/20 0.40
ADRB3 P13945 7/20 0.40
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2A1 P68400 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC1A5 Q15758 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL28773773 0.94 TSHR (0.49) MAPTTSHRALDH1A1ADRB2ADRB1
SCHEMBL27845251 0.90 ALDH1A1 (0.53) MAPTTSHRALDH1A1ADRB2ADRB1
SCHEMBL27883481 0.89 TSHR (0.44) MAPTTSHRALDH1A1ADRB2ADRB1
SCHEMBL4579751 0.89 ADRB2 (0.51) MAPTTSHRALDH1A1ADRB2ADRB1
SCHEMBL1152171 0.87 ADRB2 (0.42) MAPTTSHRALDH1A1ADRB2ADRB1
SCHEMBL3720241 0.85 MAPT (0.51) MAPTTSHRALDH1A1ADRB2ADRB1
SCHEMBL66014 0.85 MAPT (0.66) MAPTTSHRALDH1A1ADRB2ADRB1
SCHEMBL29161907 0.83 ADRB2 (0.45) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL27962814 0.83 MAPK1 (0.50) TSHRALDH1A1NPC1HTTRAB9A
SCHEMBL23013894 0.81 TSHR (0.37) MAPTTSHRADRB2ADRB1ADRB3

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-20110033161-A1 RESIN COMPOSITION FOR PRODUCTION OF CLAD LAYER, RESIN FILM FOR PRODUCTION OF CLAD LAYER UTILIZING THE RESIN COMPOSITION, AND OPTICAL WAVEGUIDE AND OPTICAL MODULE EACH UTILIZING THE RESIN COMPOSITION OR THE RESIN FILM HITACHI CHEMICAL COMPANY, LTD. (JP) 2011-02-10 US disclosed