SCHEMBL9273662

SCHEMBL9273662

O=C1C=CCC2=C1c1ccccc1C[PH]2=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MAOA P21397 3/20 0.32
CES1 P23141 2/20 0.32
MAOB P27338 2/20 0.31
IDO1 P14902 1/20 0.31
CDC25B P30305 1/20 0.31
AKT1 P31749 1/20 0.31
SNCA P37840 1/20 0.31
MAP2K1 Q02750 1/20 0.31
PIN1 Q13526 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
NSD1 Q96L73 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL9273666 0.75 CES1 (0.33) MAOACES1MAOBBCHE
SCHEMBL50865 0.68 MAOA (0.50) CA12CA9MAOACES1MAOB
SCHEMBL30252635 0.68 MAOA (0.50) CA12CA9MAOACES1MAOB
Hydrochloric Acid SCHEMBL30537100 0.66 MAOA (0.48) CA12CA9MAOACES1MAOB
Hydrochloric Acid SCHEMBL2710069 0.66 MAOA (0.48) CA12CA9MAOACES1MAOB
SCHEMBL737866 0.65 MAOA (0.41) MAOACES1MAOBIDO1CDC25B
SCHEMBL13148486 0.63 MAOA (0.37) CA12CA9MAOACES1MAOB
Bicarbonate SCHEMBL4535593 0.62 MAOA (0.43) CA12CA9MAOACES1MAOB
Formaldehyde SCHEMBL27547732 0.62 MAOA (0.38) MAOACES1MAOBIDO1CDC25B
SCHEMBL7003679 0.62 MEN1 (0.46) MAOACES1MAOBIDO1CDC25B

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
JP-7216641-A None JP disclosed
JP-7216640-A None JP disclosed
JP-H07216640-A ACRYLIC SYNTHETIC YARN HAVING EXCELLENT YELLOWING RESISTANCE KANEBO LTD 1995-08-15 JP disclosed
JP-H07216641-A ACRYLIC SYNTHETIC YARN HAVING EXCELLENT WHITENESS KANEBO LTD 1995-08-15 JP disclosed