1,3-Propanediol

1,3-Propanediol

SCHEMBL1502277

Cc1ccccc1S(=O)(=O)O.Cc1ccccc1S(=O)(=O)O.OCCCO

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
KMT2A Q03164 2/20 0.39
HCRTR2 O43614 1/20 0.38
SUMO2 P61956 1/20 0.38
SUMO1 P63165 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP3 Q9H4L4 1/20 0.38
SENP2 Q9HC62 1/20 0.38
SENP1 Q9P0U3 1/20 0.38
HSD11B1 P28845 1/20 0.37
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 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
Ethylene Glycol SCHEMBL1639873 0.92 MYC (0.47) MYCRAPGEF4ALDH1A1KDM4EHPGD
Ethylene Glycol SCHEMBL15653006 0.92 MYC (0.47) MYCRAPGEF4ALDH1A1KDM4EHPGD
Butyl Alcohol SCHEMBL27648067 0.90 RAPGEF4 (0.42) MYCRAPGEF4ALDH1A1KDM4EHPGD
Alcohol SCHEMBL27960969 0.88 RAPGEF4 (0.49) MYCRAPGEF4ALDH1A1KDM4EHPGD
SCHEMBL1748 0.88 MYC (0.53) MYCRAPGEF4ALDH1A1KDM4EGAA
SCHEMBL29392580 0.88 MYC (0.53) MYCRAPGEF4ALDH1A1KDM4EGAA
Monoethanolamine SCHEMBL8423206 0.87 MYC (0.43) MYCRAPGEF4ALDH1A1KDM4EHPGD
Ammonia Solution, Strong SCHEMBL6360239 0.86 MYC (0.52) MYCRAPGEF4ALDH1A1KDM4EGAA
SCHEMBL8715920 0.86 MYC (0.52) MYCRAPGEF4ALDH1A1KDM4EGAA
SCHEMBL948871 0.86 MYC (0.52) MYCRAPGEF4ALDH1A1KDM4EGAA

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
EP-2473538-B1 CATALYST AND PROCESS FOR POLYMERIZING AN OLEFIN AND POLYOLEFIN PREPARED THEREBY DOW GLOBAL TECHNOLOGIES LLC (US) 2017-07-26 EP disclosed
EP-2473538-A1 CATALYST AND PROCESS FOR POLYMERIZING AN OLEFIN AND POLYOLEFIN PREPARED THEREBY Dow Global Technologies LLC (US) 2012-07-11 EP disclosed
US-20110054122-A1 CATALYST AND PROCESS FOR POLYMERIZING AN OLEFIN AND POLYOLEFIN PREPARED THEREBY DOW GLOBAL TECHNOLOGIES LLC 2011-03-03 US disclosed
WO-2011025784-A1 CATALYST AND PROCESS FOR POLYMERIZING AN OLEFIN AND POLYOLEFIN PREPARED THEREBY DOW GLOBAL TECHNOLOGIES INC. (US) 2011-03-03 WO disclosed