1,3-Propanediol

1,3-Propanediol

SCHEMBL28849003

CC(C)(C)NC(=O)O.OCCCO

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.36
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGS1 P23219 1/20 0.34
KCNH2 Q12809 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
EPHX1 P07099 1/20 0.33
CNR2 P34972 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPARA Q07869 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL9253 0.84
Ammonia Solution, Strong SCHEMBL28082286 0.81
Hydrochloric Acid SCHEMBL9158754 0.81
Water SCHEMBL6698331 0.81
Ammonia Solution, Strong SCHEMBL1793738 0.81 EPHX1 (0.40) EPHX1NPC1RAB9AMAPTPOLB
Ethylenediamine SCHEMBL6467532 0.77 KDM4E (0.36) EPHX1NPC1RAB9AMAPTPOLB
SCHEMBL25319811 0.76 CYP4F2 (0.41) CAMK2ACYP4F2CYP4A11TDP1PTGS1
Tert-Butylamine SCHEMBL910388 0.76 EPHX1 (0.37) EPHX1NPC1RAB9AMAPTPOLB
Carbamic Acid SCHEMBL8964476 0.76 ACHE (0.41) EPHX1NPC1RAB9AMAPTPOLB
SCHEMBL10471874 0.75 ALDH1A1 (0.36) EPHX1NPC1RAB9AMAPTPOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107043620-A A kind of preparation method of liquid carbon dioxide thickening agent 西南石油大学 2017-08-15 CN disclosed