SCHEMBL3408449

SCHEMBL3408449

C=Cc1ccc(C[n+]2cc[nH]c2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.46
CA2 P00918 2/20 0.46
HDAC8 Q9BY41 1/20 0.36
XDH P47989 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
Hydrochloric Acid SCHEMBL15550110 0.98 CA1 (0.48) CA1CA2HDAC8XDHALDH1A1
SCHEMBL3410889 0.82 CA1 (0.42) CA1CA2HDAC8XDHALDH1A1
SCHEMBL5711144 0.78 KDM4E (0.41) CA1CA2ALDH1A1
Hydrochloric Acid SCHEMBL9696543 0.76 KDM4E (0.43) CA1CA2ALDH1A1
SCHEMBL17685974 0.70 CA1 (0.62) CA1CA2HDAC8XDHALDH1A1
SCHEMBL1768871 0.70
SCHEMBL31598838 0.69 ALDH1A1 (0.50) CA1CA2HDAC8ALDH1A1
Water SCHEMBL7145853 0.68 KDM4E (0.38)
SCHEMBL14720500 0.68 CA1 (0.39) CA1CA2HDAC8
SCHEMBL17713938 0.68 CA1 (0.43) CA1CA2HDAC8XDHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019159080-A1 IMPACT RESISTANT ADHESIVE 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-08-22 WO disclosed
EP-2257669-A1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF The Board Of Trustees Of The University Of Alabama (US) 2010-12-08 EP disclosed
WO-2010056790-A1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2010-05-20 WO disclosed
WO-2009105236-A1 IONIC LIQUID SYSTEMS FOR THE PROCESSING OF BIOMASS, THEIR COMPONENTS AND/OR DERIVATIVES, AND MIXTURES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-08-27 WO disclosed