SCHEMBL7756950

SCHEMBL7756950

O=C(O)c1cccc2oc3cc(CO)c(O)c(O)c3c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.43
PGAM1 P18669 8/20 0.41
CA2 P00918 2/20 0.40
MAOA P21397 3/20 0.39
TBK1 Q9UHD2 1/20 0.39
ACHE P22303 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
GPR35 Q9HC97 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37

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
SCHEMBL70977 0.80 HSD17B10 (0.48) PGAM1MAOATBK1CA12CA1
SCHEMBL1987428 0.72 MAOA (0.62) PGAM1MAOATBK1MGAMGAA
SCHEMBL27697686 0.70 MAOA (0.58) PGAM1MAOATBK1MGAMGAA
SCHEMBL29685650 0.67 ALDH1A1 (0.54) PGAM1CA2MAOATBK1CA12
SCHEMBL516363 0.67 ALDH1A1 (0.54) PGAM1CA2MAOATBK1CA12
SCHEMBL2808430 0.67 TTR (0.72) MAOATBK1KDM4E
SCHEMBL29415448 0.67 TTR (0.72) MAOATBK1KDM4E
SCHEMBL28593606 0.66 HMGB1 (0.65) CA2CA12CA1CA4CA6
SCHEMBL27408664 0.66 MAOA (0.57) PGAM1CA2MAOATBK1CA12
SCHEMBL7550966 0.66 KDM4E (0.55) CA2TBK1CA12CA1CA4

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
WO-2001066783-A1 NOVEL 7,8-DIHYDRO-XANTHENONE-8-CARBOXYLIC ACID DERIVATIVE AND NOVEL MICROBE PRODUCING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2001-09-13 WO claimed