SCHEMBL29036854

SCHEMBL29036854

O=C1c2ccc(O)cc2OCC1(Br)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.44
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
CYP19A1 P11511 3/20 0.44
PSMB5 P28074 1/20 0.44
AR P10275 1/20 0.38
ESR2 Q92731 4/20 0.38
ESR1 P03372 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PTPN1 P18031 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
CISD1 Q9NZ45 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
YES1 P07947 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36

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
SCHEMBL30600130 0.81 MIF (0.44) MIFMAOAMAOBCYP19A1PSMB5
SCHEMBL28636824 0.80 MIF (0.41) MIFMAOAMAOBCYP19A1PSMB5
SCHEMBL28637908 0.76 MIF (0.41) MIFMAOAMAOBCYP19A1PSMB5
SCHEMBL30251200 0.73 MAOB (0.50) MIFMAOAMAOBCYP19A1PSMB5
SCHEMBL1500180 0.73 MAOB (0.50) MIFMAOAMAOBCYP19A1PSMB5
SCHEMBL17867146 0.72 PTPN1 (0.48) MIFMAOAMAOBCYP19A1PSMB5
SCHEMBL29097663 0.71 MAOA (0.45) MIFMAOAMAOBCYP19A1PSMB5
SCHEMBL5855134 0.71 KDM4E (0.46) MIFMAOAMAOBCYP19A1PSMB5
SCHEMBL28439793 0.71 MAOB (0.44) MAOBCYP19A1ALDH1A1KDM4EMAPT
SCHEMBL571507 0.70 PTPN1 (0.45) MIFMAOAMAOBCYP19A1PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109400568-B 7-aryloxy acetoxyl isoflavone derivative and application thereof in pesticides 江苏大学 2022-10-25 CN disclosed