SCHEMBL3264904

SCHEMBL3264904

C=CCOC(=O)C=Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.59
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 2/20 0.46
CA12 O43570 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CA1 P00915 2/20 0.44
POLB P06746 1/20 0.44
CA2 P00918 1/20 0.44
CASP1 P29466 1/20 0.43
CYP3A4 P08684 1/20 0.43
SNCA P37840 1/20 0.43
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
MET P08581 1/20 0.41

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
SCHEMBL11331425 0.82 CA12 (0.67) APPLMNACA12CA7CA9
SCHEMBL11331427 0.82 CA12 (0.67) APPLMNACA12CA7CA9
SCHEMBL6558993 0.81 APP (0.70) APPLMNACA12CA7CA9
SCHEMBL10561495 0.81 APP (0.66) APPLMNACA12CA7CA9
SCHEMBL10555384 0.81 APP (0.66) APPLMNACA12CA7CA9
SCHEMBL6558987 0.81 APP (0.70) APPLMNACA12CA7CA9
SCHEMBL11820773 0.80 APP (0.64) APPLMNACA12CA7CA9
Allyl Cinnamate SCHEMBL45456 0.80 APP (0.63) APPLMNACA12CA7CA9
SCHEMBL9312481 0.80 TDP1 (0.52) TDP1LMNACA12CA7CA9
Allyl Cinnamate SCHEMBL30689543 0.80 APP (0.63) APPLMNACA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093558-A1 Electrostatic aerosol compositions RECKITT BENCKISER (UK) LIMITED, A UK CORPORATION 2007-04-26 US claimed
EP-1409605-A2 ELECTROSTATIC AEROSOL COMPOSITIONS Reckitt Benckiser (U.K.) LIMITED (GB) 2004-04-21 EP claimed
US-20030096878-A1 Electrostatic aerosol compositions RECKITT BENCKISER (UK) LIMITED 2003-05-22 US claimed
WO-2001018145-A2 ELECTROSTATIC AEROSOL COMPOSITIONS RECKITT BENCKISER (UK) LIMITED (GB) 2001-03-15 WO claimed
US-7745497-B2 Electrostatic aerosol compositions RECKITT BENCKISER (UK) LIMITED (GB) 2010-06-29 US disclosed
US-20070093558-A1 Electrostatic aerosol compositions RECKITT BENCKISER (UK) LIMITED, A UK CORPORATION 2007-04-26 US disclosed
EP-1409605-A2 ELECTROSTATIC AEROSOL COMPOSITIONS Reckitt Benckiser (U.K.) LIMITED (GB) 2004-04-21 EP disclosed
US-20030096878-A1 Electrostatic aerosol compositions RECKITT BENCKISER (UK) LIMITED 2003-05-22 US disclosed
WO-2001018145-A2 ELECTROSTATIC AEROSOL COMPOSITIONS RECKITT BENCKISER (UK) LIMITED (GB) 2001-03-15 WO disclosed