SCHEMBL20136602

SCHEMBL20136602

O=CCC(=O)Oc1cccc2c1Cc1ccccc1O2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ACSL1 P33121 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
CTNNB1 P35222 1/20 0.30
WNT3A P56704 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL28671388 0.88 MAOA (0.46) MAOAMAOBACSL1MAPKAPK2CTNNB1
SCHEMBL28681972 0.86 MAOA (0.41) MAOAMAOBACSL1MAPKAPK2
SCHEMBL28327108 0.85 MAOA (0.43) MAOAMAOBACSL1MAPKAPK2
SCHEMBL28292834 0.84 MAOA (0.42) MAOAMAOBACSL1MAPKAPK2CTNNB1
SCHEMBL28207675 0.84 MAOA (0.42) MAOAMAOBACSL1MAPKAPK2CTNNB1
SCHEMBL7559262 0.83 LMNA (0.43) MAOAMAOB
SCHEMBL2715642 0.82 MAOA (0.48) MAOAMAOBACSL1MAPKAPK2CTNNB1
SCHEMBL7576464 0.81 HPGD (0.41) MAOAMAOBACSL1ALDH1A1L3MBTL1
SCHEMBL28612202 0.80 MAOA (0.38) MAOAMAOBACSL1MAPKAPK2
SCHEMBL411459 0.80 MAOA (0.46) MAOAMAOBACSL1ALDH1A1MAPT

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-20180134047-A1 METHOD FOR PRODUCING PRINTED PRODUCTS AND PRINTING MACHINE FOR IMPLEMENTING THE METHOD HEIDELBERGER DRUCKMASCHINEN AG (DE) 2018-05-17 US claimed
US-20180134047-A1 METHOD FOR PRODUCING PRINTED PRODUCTS AND PRINTING MACHINE FOR IMPLEMENTING THE METHOD HEIDELBERGER DRUCKMASCHINEN AG (DE) 2018-05-17 US disclosed