SCHEMBL29368707

SCHEMBL29368707

COc1cnc(C(=O)O)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.49
ALOX15 P16050 1/20 0.49
ECE1 P42892 1/20 0.47
KDM4E B2RXH2 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ASPH Q12797 2/20 0.46
KDM8 Q8N371 2/20 0.46
P4HTM Q9NXG6 3/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
TPMT P51580 1/20 0.46
MAPK1 P28482 1/20 0.44
KMO O15229 2/20 0.44
LCK P06239 1/20 0.44

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
SCHEMBL18009392 1.00 GPR35 (0.49) GPR35ALOX15ECE1KDM4EL3MBTL1
SCHEMBL21045701 0.88 TSHR (0.55) GPR35ALOX15KDM4EL3MBTL1ASPH
SCHEMBL71748 0.86 KMO (0.45) GPR35ALOX15ECE1KDM4EL3MBTL1
SCHEMBL21045747 0.86 TRPC6 (0.50) GPR35ALOX15KDM4EL3MBTL1ASPH
SCHEMBL18031339 0.85 TRPC6 (0.51) GPR35ALOX15KDM4EL3MBTL1ASPH
SCHEMBL21045825 0.85 HTT (0.49) GPR35ALOX15KDM4EL3MBTL1ASPH
SCHEMBL7343126 0.85 PTGS2 (0.46) GPR35ALOX15KDM4EL3MBTL1ASPH
SCHEMBL9318874 0.85 KDM4E (0.55) GPR35ALOX15KDM4EL3MBTL1ASPH
SCHEMBL1425220 0.85 GPR35 (0.50) GPR35ALOX15ECE1KDM4EL3MBTL1
SCHEMBL9568767 0.85 KDM4E (0.50) GPR35ALOX15KDM4EL3MBTL1ASPH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922427-B Antiviral compounds 詹森生物制药有限公司 2022-01-28 CN disclosed