SCHEMBL2584935

SCHEMBL2584935

CCCCCCCCCCCCCCCc1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.58
TAAR1 Q96RJ0 3/20 0.54
AOC3 Q16853 1/20 0.48
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX5 P09917 1/20 0.47
MAPT P10636 1/20 0.47
TYR P14679 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BID P55957 3/20 0.45
MCL1 Q07820 3/20 0.45
TLR8 Q9NR97 3/20 0.45
BCL2L1 Q07817 2/20 0.45

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
SCHEMBL7758952 1.00 LIPG (0.58) LIPGTAAR1AOC3NR1H2NR1H3
SCHEMBL14402389 1.00 LIPG (0.58) LIPGTAAR1AOC3NR1H2NR1H3
SCHEMBL19540033 1.00 LIPG (0.58) LIPGTAAR1AOC3NR1H2NR1H3
SCHEMBL2241863 1.00 LIPG (0.58) LIPGTAAR1AOC3NR1H2NR1H3
SCHEMBL19540031 1.00 LIPG (0.58) LIPGTAAR1AOC3NR1H2NR1H3
SCHEMBL14402410 0.98 TAAR1 (0.56) LIPGTAAR1AOC3NR1H2NR1H3
Ethyne SCHEMBL27743288 0.94 TAAR1 (0.52) LIPGTAAR1AOC3NR1H2NR1H3
SCHEMBL1073302 0.91 TAAR1 (0.58) LIPGTAAR1AOC3CYP3A4TYR
SCHEMBL20382473 0.89 HTR2A (0.52) LIPGTAAR1AOC3TP53CYP3A4
Methoxymethane SCHEMBL28252584 0.85 LIPG (0.49) LIPGTAAR1MEN1TP53CYP3A4

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-9145360-B2 Bronsted acid compound, manufacturing method of condensation compound, dispersion liquid of condensation compound particles, manufacturing method of electrostatic image developing toner, manufacturing method of binder resin, binder resin, dispersion liquid of resin particles, electrostatic image developing toner, electrostatic image developer, and image-forming method FUJI XEROX CO., LTD. (JP) 2015-09-29 US disclosed
US-20110269066-A1 Bronsted acid compound, manufacturing method of condensation compound, dispersion liquid of condensation compound particles, manufacturing method of electrostatic image developing toner, manufacturing method of binder resin, binder resin, dispersion liquid of resin particles, electrostatic image developing toner, electrostatic image developer, and image-forming method FUJI XEROX CO., LTD. (JP) 2011-11-03 US disclosed