SCHEMBL819204

SCHEMBL819204

O=c1c(O)c(O)c(O)c(O)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ MAPT P10636 3/20 0.45
▸ CACNA1B Q00975 2/20 0.45
▸ APBA1 Q02410 2/20 0.45
▸ IDE P14735 1/20 0.45
▸ MPI P34949 1/20 0.45
▸ HSD17B10 Q99714 5/20 0.44
▸ HPGD P15428 4/20 0.44
▸ GAA P10253 3/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ PADI4 Q9UM07 1/20 0.43
▸ NMUR2 Q9GZQ4 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ ALOX15 P16050 2/20 0.42

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
SCHEMBL27740 0.83 IDO1 (0.53) ALDH1A1KDM4EMAPTCACNA1BAPBA1
SCHEMBL29648165 0.83 IDO1 (0.53) ALDH1A1KDM4EMAPTCACNA1BAPBA1
SCHEMBL30503415 0.76 PADI4 (0.55) ALDH1A1KDM4EMAPTCACNA1BAPBA1
SCHEMBL888293 0.76 PADI4 (0.55) ALDH1A1KDM4EMAPTCACNA1BAPBA1
Formaldehyde SCHEMBL11154820 0.75 PADI4 (0.54) ALDH1A1KDM4EMAPTCACNA1BAPBA1
SCHEMBL7304332 0.74 PADI4 (0.43) ALDH1A1KDM4EMAPTCACNA1BAPBA1
Acetic Acid SCHEMBL11780463 0.74 KDM4E (0.52) ALDH1A1KDM4EMAPTCACNA1BAPBA1
Anthraquinone SCHEMBL10595870 0.74 MEN1 (0.63) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL28634694 0.73 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTCACNA1BAPBA1
SCHEMBL927812 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTHSD17B10HPGD

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
US-8940088-B2 Aqueous ink composition and recorded article formed by using the same SEIKO EPSON CORPORATION (JP) 2015-01-27 — — US disclosed
US-8574356-B2 Ink composition and recording method SEIKO EPSON CORPORATION (JP) 2013-11-05 — — US disclosed
US-20110281032-A1 INK COMPOSTION AND RECORDING METHOD SEIKO EPSON CORPORATION (JP) 2011-11-17 — — US disclosed
US-20110281089-A1 AQUEOUS INK COMPOSITION AND RECORDED ARTICLE FORMED BY USING THE SAME SEIKO EPSON CORPORATION (JP) 2011-11-17 — — US disclosed
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