SCHEMBL9806531

SCHEMBL9806531

CCCOCCc1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.CCCOCCc1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.[Ni+2]

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ACSL1 P33121 1/20 0.32
MAPT P10636 1/20 0.31
NAMPT P43490 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
SCHEMBL9306535 0.98 MAOA (0.34) MAOAMAOBACSL1MAPTNAMPT
Potassium Ion SCHEMBL9306637 0.90 MEN1 (0.35) MAOAMAOBACSL1MAPTNAMPT
SCHEMBL639835 0.86 MAOA (0.37) MAOAMAOBMAPT
SCHEMBL10581962 0.86 MAOA (0.39) MAOAMAOBACSL1MAPT
Zinc Ion SCHEMBL15157997 0.86 MAOA (0.39) MAOAMAOBACSL1MAPT
Potassium Ion SCHEMBL9849901 0.86 MAOA (0.39) MAOAMAOBACSL1MAPT
SCHEMBL9806522 0.86 POLB (0.35) MAOAMAOBACSL1MAPTNAMPT
SCHEMBL640834 0.85 MAOA (0.42) MAOAMAOBACSL1MAPT
SCHEMBL9869895 0.84 TRPA1 (0.40) MAPT
SCHEMBL153269 0.84 MAOA (0.37) MAOAMAOBMAPT

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
US-5035815-A Synergistic, antiwear EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-07-30 US disclosed
US-5034142-A Wear resistant compositions for engines EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-07-23 US disclosed