SCHEMBL7706290

SCHEMBL7706290

CCOCc1cccc2cc(C(=O)OCC)oc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
HSD17B10 Q99714 4/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
ALDH1A1 P00352 6/20 0.45
MAPT P10636 6/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
POLB P06746 1/20 0.44
RAB9A P51151 4/20 0.43
AKR1B1 P15121 1/20 0.42
NPC1 O15118 3/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41

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
SCHEMBL7706934 0.85 KMT2A (0.57) KDM4EHSD17B10MAOAMAOBALDH1A1
SCHEMBL5309471 0.85 KDM4E (0.51) KDM4EHSD17B10MAOAMAOBALDH1A1
SCHEMBL10968615 0.84 KDM4E (0.50) KDM4EHSD17B10MAOAMAOBALDH1A1
SCHEMBL4675984 0.82 MAOA (0.68) KDM4EHSD17B10MAOAMAOBALDH1A1
SCHEMBL5311626 0.82 MAOA (0.53) KDM4EHSD17B10MAOAMAOBALDH1A1
SCHEMBL7469464 0.81 MAOB (0.52) KDM4EHSD17B10MAOAMAOBALDH1A1
SCHEMBL7703462 0.80 ALDH1A1 (0.41) KDM4EHSD17B10MAOAMAOBALDH1A1
SCHEMBL2303899 0.80 MAOA (0.51) KDM4EHSD17B10MAOAMAOBALDH1A1
SCHEMBL17842824 0.80 MAOB (0.51) KDM4EHSD17B10MAOAMAOBALDH1A1
SCHEMBL931020 0.80 MAOB (0.51) KDM4EHSD17B10MAOAMAOBALDH1A1

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-0906301-B1 BENZOFURYL DERIVATIVES AND THEIR USE HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5955495-A BENZOFURAN-2-CARBOXAMIDINE OR 2-CARBOXAMIDOXIME COMPOUNDS USEFUL IN THE CONTROL OR PREVENTION OF ILLNESSES OR DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUCH AS MIGRAINE, SCHIZOPHRENIA, ANXIETY STATES, SLEEP DISORDERS, ANOREXIA, ALZHEIMER'S HOFFMANN-LA ROCHE INC. (US) 1999-09-21 US disclosed
EP-0906301-A1 BENZOFURYL DERIVATIVES AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 1999-04-07 EP disclosed
WO-1997042183-A1 BENZOFURYL DERIVATIVES AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 1997-11-13 WO disclosed