SCHEMBL27715902

SCHEMBL27715902

COC(=O)c1cccc2cccc-2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.71
CA9 Q16790 2/20 0.71
CA1 P00915 1/20 0.71
CA2 P00918 1/20 0.71
ERN1 O75460 3/20 0.64
PLAU P00749 4/20 0.63
GABRG2 P18507 1/20 0.60
GABRB3 P28472 1/20 0.60
GABRA5 P31644 1/20 0.60
GABRA3 P34903 1/20 0.60
TSHR P16473 1/20 0.59
CDK8 P49336 1/20 0.59
LOXL2 Q9Y4K0 1/20 0.58
FNTA P49354 1/20 0.57
FNTB P49356 1/20 0.57
PGGT1B P53609 1/20 0.57
CYP4F2 P78329 1/20 0.56
CYP4A11 Q02928 1/20 0.56
PLAT P00750 2/20 0.56
PLG P00747 1/20 0.56

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
SCHEMBL67941 0.98 CA12 (0.68) CA12CA9CA1CA2ERN1
SCHEMBL1221576 0.96 TSHR (0.67) CA12CA9CA1CA2ERN1
SCHEMBL29410906 0.96 TSHR (0.67) CA12CA9CA1CA2ERN1
Hydrochloric Acid SCHEMBL29506745 0.94 CA12 (0.65) CA12CA9CA1CA2ERN1
SCHEMBL68931 0.94 CA12 (0.69) CA12CA9CA1CA2ERN1
SCHEMBL3359577 0.94 CA12 (0.65) CA12CA9CA1CA2ERN1
SCHEMBL30443216 0.91 CA12 (0.66) CA12CA9CA1CA2ERN1
SCHEMBL514 0.91 CA12 (0.66) CA12CA9CA1CA2ERN1
SCHEMBL1661764 0.91 CA12 (0.66) CA12CA9CA1CA2ERN1
SCHEMBL17348229 0.90 CA12 (0.60) CA12CA9CA1CA2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103249735-B Tricyclic compounds and methods of making and using the same ZAFGEN CORP. (US) 2016-04-06 CN disclosed
CN-103249735-A Tricyclic compounds and methods of making and using the same ZAFGEN CORP 2013-08-14 CN disclosed
CN-101228146-A Benzofuran derivatives with therapeutic activities PHARMOS CORP (US) 2008-07-23 CN disclosed