SCHEMBL4169446

SCHEMBL4169446

C=COCC(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
HTR2A P28223 5/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CYP2C19 P33261 1/20 0.38
HRH1 P35367 5/20 0.38
CA7 P43166 1/20 0.37
SCN4A P35499 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL3121103 0.98 CA12 (0.41) CA12CA1CA2CA9HTR2A
SCHEMBL20340764 0.81 SCN4A (0.55) SCN4A
SCHEMBL8831506 0.80 HRH1 (0.46) HTR2ATAAR1CYP2C19HRH1SMN1; SMN2
SCHEMBL2927957 0.77 CA12 (0.42) CA12CA1CA2CA9HTR2A
SCHEMBL13092301 0.75 IDO1 (0.41) MEN1KMT2APKM
SCHEMBL3440961 0.74 CA12 (0.40) CA12CA1CA2CA9HTR2A
SCHEMBL28661133 0.74 CA12 (0.37) CA12CA1CA2CA9HTR2A
SCHEMBL792107 0.73 HPGD (0.47) CA12CA1CA2CA9HTR2A
SCHEMBL82860 0.72 CA12 (0.39) CA12CA1CA2CA9HTR2A
SCHEMBL7129055 0.72 HTR2A (0.50) CA12CA1CA2CA9HTR2A

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-7553884-B2 Ink set for use in ink-jet recording, ink-jet recording process, recording unit and ink-jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2009-06-30 US disclosed
US-20060052481-A1 Ink set for use in ink-jet recording, ink-jet recording process, recording unit and ink-jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2006-03-09 US disclosed