SCHEMBL6558987

SCHEMBL6558987

C=CCOC(=O)/C=C/c1ccc(O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.70
CA12 O43570 7/20 0.66
CA7 P43166 7/20 0.66
CA9 Q16790 7/20 0.66
CA14 Q9ULX7 7/20 0.66
CA1 P00915 6/20 0.66
CA2 P00918 4/20 0.66
AKR1B10 O60218 6/20 0.60
AKR1B1 P15121 6/20 0.60
CA4 P22748 4/20 0.60
CA6 P23280 4/20 0.60
CA5A P35218 4/20 0.60
CA5B Q9Y2D0 4/20 0.60
MET P08581 1/20 0.60
TYR P14679 3/20 0.57
MAOB P27338 2/20 0.56
PTGS2 P35354 1/20 0.53
GLO1 Q04760 1/20 0.53
CAMK2A Q9UQM7 1/20 0.53
F3 P13726 2/20 0.52

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
SCHEMBL6558993 1.00 APP (0.70) APPCA12CA7CA9CA14
SCHEMBL10555384 0.87 APP (0.66) APPCA12CA7CA9CA14
SCHEMBL10561495 0.87 APP (0.66) APPCA12CA7CA9CA14
SCHEMBL11820773 0.85 APP (0.64) APPCA12CA7CA9CA14
Allyl Cinnamate SCHEMBL45457 0.85 APP (0.63) APPCA12CA7CA9CA14
Allyl Cinnamate SCHEMBL30689543 0.85 APP (0.63) APPCA12CA7CA9CA14
SCHEMBL13499769 0.85 CA12 (0.68) APPCA12CA7CA9CA14
Allyl Cinnamate SCHEMBL45456 0.85 APP (0.63) APPCA12CA7CA9CA14
SCHEMBL5963009 0.84 APP (0.62) APPCA12CA7CA9CA14
SCHEMBL252040 0.83 LMNA (0.62) APPF3LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153019-B1 PHOTOACTIVE PROPANE DERIVATIVES AND ORIENTATION LAYERS QINETIQ LTD (GB) 2004-03-03 EP disclosed
US-6653499-B1 Photoisomerizable/dimerizable groups; liquid crystals displays QINETIQ LIMITED (GB) 2003-11-25 US disclosed
EP-1153019-A1 PHOTOACTIVE PROPANE DERIVATIVES AND ORIENTATION LAYERS QinetiQ Limited (GB) 2001-11-14 EP disclosed
WO-2000037453-A1 PHOTOACTIVE PROPANE DERIVATIVES AND ORIENTATION LAYERS QINETIQ LIMITED (GB) 2000-06-29 WO disclosed
US-4399297-A Polyalkoxycarbinol cinnamates and protective sun agents containing these compounds BASF AKTIENGESELLSCHAFT (DE) 1983-08-16 US disclosed
US-4293435-A ACRYLATE POLYMERS BASF AKTIENGESELLSCHAFT (DE) 1981-10-06 US disclosed