SCHEMBL7480987

SCHEMBL7480987

CC(=O)c1cc(CO)c2occc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTNNB1 P35222 5/20 0.37
WNT3A P56704 5/20 0.37
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
CYP2A6 P11509 1/20 0.34
HSD17B1 P14061 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ABCB1 P08183 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL26095095 0.77 MAPT (0.39) XDHSLC22A12MAPTPOLBKDM4E
SCHEMBL30950146 0.77 MAPT (0.39) XDHSLC22A12MAPTPOLBKDM4E
SCHEMBL7488343 0.74 KDM4E (0.38) XDHSLC22A12MAPTPOLBKDM4E
SCHEMBL7482318 0.73 MAOB (0.36) XDHSLC22A12CYP3A4
SCHEMBL31305973 0.73 MAOB (0.36) XDHSLC22A12CYP3A4
SCHEMBL29433461 0.72 MAPT (0.42) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL5988003 0.72 ACVR1 (0.41) XDHMAPTPOLBKDM4EHSD17B10
SCHEMBL12253686 0.69 PKM (0.57) PKMMAPTPOLBKDM4EHSD17B10
SCHEMBL9574305 0.68 PKM (1.00) PKMMAPTPOLBKDM4EHTT
SCHEMBL1066340 0.68 GAA (0.43) PKMMAPTPOLBKDM4ECTNNB1

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
EP-0783499-B1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LTD (GB) 2002-10-23 EP disclosed
US-5935972-A Benzofuran derivatives as tachykinin antagonists GLAXO GROUP LIMITED (GB) 1999-08-10 US disclosed
EP-0783499-A1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 1997-07-16 EP disclosed
WO-1995006645-A1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 1995-03-09 WO disclosed