SCHEMBL7752963

SCHEMBL7752963

CCOC(=O)c1cc2cc3c(cc2oc1=O)OCO3

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.61
MAOA P21397 3/20 0.61
MIF P14174 1/20 0.61
PFKFB3 Q16875 1/20 0.61
KDM4E B2RXH2 6/20 0.58
GLA P06280 4/20 0.58
GAA P10253 4/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 3/20 0.58
CA12 O43570 2/20 0.58
CA2 P00918 2/20 0.58
CA3 P07451 2/20 0.58
CA4 P22748 2/20 0.58
CA6 P23280 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA14 Q9ULX7 2/20 0.58
CA5B Q9Y2D0 1/20 0.58
NOD2 Q9HC29 1/20 0.58
HSD17B10 Q99714 3/20 0.54

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
SCHEMBL9132388 0.84 MAOB (0.57) MAOBMAOAMIFPFKFB3KDM4E
SCHEMBL1406249 0.80 KDM4E (0.76) MAOBMAOAMIFPFKFB3KDM4E
SCHEMBL7250759 0.79 GPR35 (0.55) MAOBMAOAKDM4EALDH1A1HPGD
SCHEMBL25696561 0.78 MAOB (0.67) MAOBMAOAMIFPFKFB3KDM4E
SCHEMBL8756161 0.77 KDM4E (0.54) MAOBMAOAMIFKDM4EGLA
SCHEMBL25696493 0.77 MAOB (0.67) MAOBMAOAMIFPFKFB3KDM4E
SCHEMBL12611191 0.77 MIF (0.78) MAOBMAOAMIFPFKFB3KDM4E
SCHEMBL5595982 0.77 L3MBTL1 (0.43) MAOBMAOAKDM4EGLAALDH1A1
SCHEMBL30595106 0.77 MAOB (0.78) MAOBMAOAMIFPFKFB3KDM4E
SCHEMBL11486663 0.77 MAOB (0.78) MAOBMAOAMIFPFKFB3KDM4E

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-0769015-B1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-03-14 EP disclosed
US-5716944-A USEFUL AS PROPHYLACTIC AND THERAPEUTIC AGENTS OF VARIOUS METABOLIC BONE DISEASES SUCH AS OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0769015-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-23 EP disclosed
WO-1996001267-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-18 WO disclosed