1,3-Propanediol

1,3-Propanediol

SCHEMBL29216017

O=C(O)CCO.OCCCO

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.71
GPR84 Q9NQS5 3/20 0.63
FFAR1 O14842 1/20 0.63
FFAR4 Q5NUL3 1/20 0.63
LMNA P02545 4/20 0.53
SLC22A6 Q4U2R8 2/20 0.53
TSHR P16473 4/20 0.50
NFKB1 P19838 2/20 0.50
PMP22 Q01453 1/20 0.50
ALKBH5 Q6P6C2 1/20 0.50
SUCNR1 Q9BXA5 1/20 0.50
EGLN1 Q9GZT9 1/20 0.50
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
GABRR3 A8MPY1 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43

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
Oxybate SCHEMBL4180417 0.90 CAMK2A (0.88) CAMK2AGPR84FFAR1FFAR4LMNA
Succinic Acid SCHEMBL8936681 0.90 CAMK2A (0.75) CAMK2AGPR84FFAR1FFAR4LMNA
SCHEMBL21114358 0.89 CAMK2A (0.62) CAMK2AGPR84FFAR1FFAR4LMNA
SCHEMBL28580 0.89
Adipic Acid SCHEMBL10993632 0.87 GPR84 (0.82) CAMK2AGPR84FFAR1FFAR4LMNA
Adipic Acid SCHEMBL5448042 0.87 GPR84 (0.82) CAMK2AGPR84FFAR1FFAR4LMNA
Ammonia Solution, Strong SCHEMBL9397069 0.86 CAMK2A (0.59) CAMK2AGPR84FFAR1FFAR4LMNA
SCHEMBL15741468 0.86
Hydrochloric Acid SCHEMBL3129230 0.86
SCHEMBL21523226 0.86

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-114806984-B Genetically engineered bacterium EC01S7 for co-producing 3-hydroxypropionic acid and 1, 3-propanediol, construction method and application 江苏大学 2024-04-09 CN disclosed