SCHEMBL9623896

SCHEMBL9623896

COc1cc(O)ccc1Oc1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
MAOB P27338 1/20 0.55
ALDH1A1 P00352 2/20 0.52
HTT P42858 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ESR2 Q92731 3/20 0.50
ESR1 P03372 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TTR P02766 3/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
AR P10275 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47

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
SCHEMBL29084815 0.89 MAOB (0.48) LTA4HMAOBALDH1A1HTTMAPK1
SCHEMBL4233394 0.89 MAOB (0.53) LTA4HMAOBALDH1A1HTTMAPK1
SCHEMBL20472303 0.85 LTA4H (0.50) LTA4HMAOBALDH1A1HTTMAPK1
SCHEMBL119396 0.83 MAOB (0.70) MAOBALDH1A1MAPK1ESR2ESR1
SCHEMBL30514387 0.83 MAOB (0.70) MAOBALDH1A1MAPK1ESR2ESR1
SCHEMBL6830292 0.82 HTT (0.79) LTA4HALDH1A1HTTMAPK1L3MBTL1
SCHEMBL27983148 0.81 TTR (0.72) ALDH1A1HTTTTR
SCHEMBL4683262 0.81 MEN1 (0.53) ALDH1A1HTTMAPK1MEN1KMT2A
SCHEMBL8914942 0.81 LTA4H (0.53) LTA4HMAOBALDH1A1HTTMAPK1
Methane SCHEMBL27404638 0.81 MAOB (0.67) MAOBALDH1A1MAPK1ESR2ESR1

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-0212944-B1 MELT-PROCESSABLE AROMATIC COPOLYESTER Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1992-04-08 EP disclosed
EP-0297353-A2 Moulding compositions from polycarbonate, thermotropic polymer, graft polymer and fluorinated polyolefin BAYER AG (DE) 1989-01-04 EP disclosed
US-4746721-A ENGINEERING PLASTICS KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1988-05-24 US disclosed
EP-0212944-A2 Melt-processable aromatic copolyester Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1987-03-04 EP disclosed