SCHEMBL16602000

SCHEMBL16602000

N#Cc1ccc(C2=C/C(=C3\C=C(c4ccc(O)cc4)C(=O)C(c4ccc(C#N)cc4)=C3)C=C(c3ccc(O)cc3)C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.60
CA12 O43570 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
CA3 P07451 1/20 0.55
CA6 P23280 1/20 0.55
CA14 Q9ULX7 1/20 0.55
BACE1 P56817 2/20 0.47
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
PTPN1 P18031 1/20 0.44
GSK3B P49841 2/20 0.40
P4HB P07237 1/20 0.40
CA1 P00915 1/20 0.40
VCP P55072 1/20 0.38
DEGS1 O15121 1/20 0.38
SENP1 Q9P0U3 1/20 0.37
MAOB P27338 2/20 0.37

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
SCHEMBL12114150 0.81 ALDH1A1 (0.39) MMP3CA12CA2CA9GAA
SCHEMBL16601720 0.79 BACE1 (0.59) MMP3CA12CA2CA9CA3
SCHEMBL16656333 0.78 ALDH1A1 (0.48) MMP3CA12CA2CA9GAA
SCHEMBL14173714 0.77 MMP3 (1.00) MMP3CA12CA2CA9CA3
SCHEMBL83161 0.77 MMP3 (1.00) MMP3CA12CA2CA9CA3
Formaldehyde SCHEMBL28313113 0.75 MMP3 (0.86) MMP3CA12CA2CA9CA3
SCHEMBL6357016 0.75 MMP3 (0.95) MMP3CA12CA2CA9CA3
SCHEMBL5360556 0.75 MMP3 (0.95) MMP3CA12CA2CA9CA3
4-Cyanophenol SCHEMBL50814 0.74
4-Cyanophenol SCHEMBL28811803 0.74 CA2 (1.00) MMP3CA12CA2CA9CA3

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-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed