1,3-Propanediol

1,3-Propanediol

SCHEMBL743614

O=C1CC(=O)OC(c2ccccc2)O1.OCCCO

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
SIRT1 Q96EB6 13/20 0.40
SIRT2 Q8IXJ6 2/20 0.36
SIRT5 Q9NXA8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL120709 0.87 MEN1 (0.48) MEN1KMT2ALMNAPOLBSIRT1
SCHEMBL8207399 0.85 MEN1 (0.47) MEN1KMT2ALMNAPOLBSIRT1
Malonic Acid SCHEMBL18092161 0.83 KMT2A (0.40) MEN1KMT2ALMNAPOLBSIRT1
SCHEMBL5186156 0.80 MEN1 (0.43) MEN1KMT2ALMNAPOLBSIRT1
SCHEMBL28375248 0.76 MEN1 (0.40) MEN1KMT2ALMNAPOLBSIRT1
SCHEMBL7379470 0.75 MEN1 (0.48) MEN1KMT2ALMNAPOLBSIRT1
SCHEMBL30236541 0.73 TP53 (0.46) MEN1KMT2ALMNAPOLBSIRT1
SCHEMBL9717102 0.72 CA12 (0.43) LMNAALDH1A1GAAMAPT
SCHEMBL992746 0.72 MAPT (0.45) MEN1KMT2APOLBSIRT1MAPT
SCHEMBL27883738 0.71 MEN1 (0.49) MEN1KMT2ALMNAPOLBSIRT1

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
US-8137874-B2 Organic graded spin on BARC compositions for high NA lithography INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-03-20 US disclosed