SCHEMBL19612468

SCHEMBL19612468

CCCCCCCCOc1ccc2c(OCCCCCCCC)c(OC)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.44
THRB P10828 1/20 0.44
PLA2G4B P0C869 1/20 0.44
CNR2 P34972 1/20 0.44
NR5A1 Q13285 1/20 0.43
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL19612326 0.96 CNR2 (0.46) CNR2MAPK1
SCHEMBL19612543 0.84 LTA4H (0.55) THRAPLA2G4BTSHR
SCHEMBL8724311 0.83 NR5A1 (0.55) THRAPLA2G4BNR5A1MAPK1TSHR
SCHEMBL19612198 0.83 THRA (0.45) THRATHRBNR5A1MAPK1TSHR
SCHEMBL27396720 0.83 THRA (0.42) THRATHRBPLA2G4B
SCHEMBL12259989 0.82 NR5A1 (0.53) THRAPLA2G4BNR5A1MAPK1TSHR
SCHEMBL12259997 0.82 NR5A1 (0.53) THRAPLA2G4BNR5A1MAPK1TSHR
SCHEMBL12278287 0.82 NR5A1 (0.53) THRAPLA2G4BNR5A1MAPK1TSHR
SCHEMBL19612214 0.82 THRA (0.44) THRATHRBNR5A1TSHR
SCHEMBL12269048 0.81 AHR (0.47) THRANR5A1TSHR

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-20170336728-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2017-11-23 US disclosed