SCHEMBL10968615

SCHEMBL10968615

CCOC(=O)c1cc2cccc(CN(C)C)c2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 3/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 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
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RAB9A P51151 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
SCHEMBL5309471 0.85 KDM4E (0.51) KDM4EHSD17B10MAOAMAOBMAPK1
SCHEMBL7706290 0.84 KDM4E (0.50) KDM4EHSD17B10MAOAMAOBMAPK1
SCHEMBL4675984 0.82 MAOA (0.68) KDM4EHSD17B10MAOAMAOBMAPK1
SCHEMBL11491653 0.82 ALDH1A1 (0.43) KDM4EHSD17B10ALDH1A1POLBRAB9A
SCHEMBL5311626 0.82 MAOA (0.53) KDM4EHSD17B10MAOAMAOBMAPK1
SCHEMBL7469464 0.81 MAOB (0.52) KDM4EHSD17B10MAOAMAOBMAPK1
SCHEMBL10966875 0.81 MAOB (0.49) KDM4EHSD17B10MAOBMAPK1ALDH1A1
SCHEMBL2303899 0.80 MAOA (0.51) KDM4EHSD17B10MAOAMAOBMAPK1
SCHEMBL17842824 0.80 MAOB (0.51) KDM4EHSD17B10MAOAMAOBMAPK1
SCHEMBL931020 0.80 MAOB (0.51) KDM4EHSD17B10MAOAMAOBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0029311-B1 AMINOALKYL BENZOFURAN DERIVATIVES, THEIR PRODUCTION AND COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1985-01-23 EP disclosed
EP-0029311-A1 Aminoalkyl benzofuran derivatives, their production and compositions containing them MERCK & CO. INC. (US) 1981-05-27 EP disclosed