SCHEMBL19612460

SCHEMBL19612460

Clc1cccc(OCCc2ccccc2)c1OCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.56
ADRA1D P25100 2/20 0.56
ADRA1A P35348 2/20 0.56
ADRA1B P35368 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.50
MAPK14 Q16539 1/20 0.47
PTGES O14684 2/20 0.45
ALOX5 P09917 2/20 0.45
PPARG P37231 1/20 0.45
PKM P14618 1/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
KCNH2 Q12809 1/20 0.43
HPGD P15428 1/20 0.42
IDO1 P14902 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL9705397 0.85 L3MBTL1 (0.51) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL19612406 0.83 GPR84 (0.50) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL19612640 0.82 HPGD (0.52) MAPK14CYP11B1CYP11B2HPGDIDO1
SCHEMBL19612296 0.82 HTR1A (0.46) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL19612233 0.79 ADRA1A (0.56) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL10191805 0.79 SMN1; SMN2 (0.61) HTR1AADRA1DADRA1AADRA1B
SCHEMBL1835201 0.79 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BPTGES
SCHEMBL17912813 0.79 CYP11B1 (0.56) HTR1AADRA1DADRA1AADRA1BCYP11B1
SCHEMBL19612479 0.79 ABCB1 (0.53) HTR1AADRA1DADRA1AADRA1BPTGES
SCHEMBL19612456 0.79 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BL3MBTL1

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