SCHEMBL17658995

SCHEMBL17658995

Clc1cc(OCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.58
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
MRGPRX4 Q96LA9 6/20 0.55
MAOB P27338 7/20 0.54
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
CYP2C19 P33261 1/20 0.52
PTGS2 P35354 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HIF1A Q16665 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL27569179 0.88 MRGPRX4 (0.51) ALOX5RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL4986557 0.87 NPC1 (0.52) ALOX5RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL21327244 0.86 ALOX5 (0.58) ALOX5RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL10795825 0.84 NPC1 (0.47) ALOX5RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL17912816 0.83 ALOX5 (0.65) ALOX5RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL17912828 0.83 ALOX5 (0.65) ALOX5RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL13412635 0.83 ALOX5 (0.63) ALOX5RAB9ASMN1; SMN2MAOBLMNA
SCHEMBL13047045 0.83 MRGPRX4 (0.52) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL11229032 0.83 TDP1 (0.49) ALOX5RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL1532826 0.82 NPC1 (0.61) RAB9ASMN1; SMN2NPC1NFKB1NFKB2

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 2 patents. 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
WO-2016051799-A1 2-AMINOHYDROQUINONE DERIVATIVE AND TAU AGGREGATION INHIBITOR 学校法人同志社 2016-04-07 WO disclosed