SCHEMBL19612296

SCHEMBL19612296

Clc1ccc2cccc(OCCc3ccccc3)c2c1OCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPK14 Q16539 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PTGES O14684 2/20 0.38
ALOX5 P09917 2/20 0.38
HPGD P15428 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL19612267 0.83 HTR1A (0.46) HTR1AADRA1DADRA1AADRA1BKMT2A
SCHEMBL19612368 0.82 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BKMT2A
SCHEMBL19612283 0.82 HTR1A (0.48) HTR1AADRA1DADRA1AADRA1B
SCHEMBL19612460 0.82 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL19612306 0.81 CNR1 (0.41) KMT2ACNR1CNR2GPR84CYP11B1
SCHEMBL19612258 0.79 KCNH2 (0.53) L3MBTL1KCNH2HPGD
SCHEMBL19612406 0.78 GPR84 (0.50) HTR1AADRA1DADRA1AADRA1BKMT2A
SCHEMBL19612225 0.77 MCHR1 (0.50) KMT2AL3MBTL1CNR1CNR2KCNH2
SCHEMBL19612640 0.74 HPGD (0.52) KMT2ACNR1CNR2MAPK14GPR84
SCHEMBL9705397 0.74 L3MBTL1 (0.51) HTR1AADRA1DADRA1AADRA1BKMT2A

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