SCHEMBL7174976

SCHEMBL7174976

C=CC(=O)OC(CCC)c1ccccc1[O]

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.38
THRA P10827 1/20 0.38
TSHR P16473 4/20 0.34
HPGD P15428 1/20 0.33
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
POLB P06746 2/20 0.32
CTSK P43235 1/20 0.31
CASP1 P29466 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL21693856 0.87 THRB (0.37) THRBTHRATSHRHPGDPPARG
SCHEMBL15173410 0.86 THRB (0.36) THRBTHRATSHRHPGDPPARG
SCHEMBL25385326 0.86 CASP1 (0.43) THRBTHRATAS1R3TAS1R1CASP1
SCHEMBL8038236 0.83 AOC3 (0.40) HPGD
SCHEMBL3171202 0.82 THRB (0.40) THRBTHRAPPARGPPARAPOLB
SCHEMBL7804595 0.81 THRB (0.34) THRBTHRATSHR
SCHEMBL7873876 0.80 THRB (0.33) THRBTHRATSHRHPGD
SCHEMBL7803053 0.80 THRB (0.33) THRBTHRATAS1R3TAS1R1POLB
SCHEMBL8038185 0.77 THRB (0.42) THRBTHRATSHRHPGDPPARG
SCHEMBL8028264 0.76 KDM4E (0.42) THRBTHRATSHR

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
EP-1279720-A1 FLAME RETARDANT, FLAME-RETARDANT RESIN COMPOSITION, MOLDED OBJECT, AND ELECTRONIC PART OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2003-01-29 EP disclosed