SCHEMBL19612480

SCHEMBL19612480

CCCCCCCCOc1ccc(OCCCCCCCC)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.58
THRA P10827 2/20 0.54
THRB P10828 2/20 0.54
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NR5A1 Q13285 1/20 0.51
SMPD1 P17405 3/20 0.50
PRSS1 P07477 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL16314448 0.95 THRA (0.56) PLA2G4BTHRATHRBNR5A1SMPD1
SCHEMBL19612285 0.95 MAPT (0.53) PLA2G4BTHRATHRBALDH1A1LMNA
SCHEMBL13412633 0.91 NR5A1 (0.56) PLA2G4BTHRATHRBNR5A1TSHR
SCHEMBL8706961 0.91 PLA2G4B (0.53) PLA2G4BTHRATHRBALDH1A1LMNA
SCHEMBL29657341 0.89 NR5A1 (0.53) PLA2G4BTHRATHRBNR5A1TSHR
SCHEMBL2499383 0.89 NR5A1 (0.53) PLA2G4BTHRATHRBNR5A1TSHR
SCHEMBL8337382 0.89 CA12 (0.59) PLA2G4BTHRATHRBALDH1A1LMNA
SCHEMBL19612317 0.85 THRA (0.48) PLA2G4BTHRATHRBNR5A1SMPD1
SCHEMBL19612280 0.85 THRA (0.48) PLA2G4BTHRATHRBNR5A1SMPD1
SCHEMBL1573623 0.85 LTA4H (0.48) ALDH1A1MAPTL3MBTL1NR5A1TSHR

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