1,3-Propanediol

1,3-Propanediol

SCHEMBL29185451

N#Cc1ccc(OB(O)O)cc1.OCCCO

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.42
MMP3 P08254 4/20 0.40
PGR P06401 1/20 0.40
MAOB P27338 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MMP2 P08253 3/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
MGLL Q99685 1/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38

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
SCHEMBL2202099 0.89 ENPP2 (0.52) ENPP2MMP3MAOBMAPTALDH1A1
1,3-Propanediol SCHEMBL29185449 0.82 TTR (0.34) ENPP2MEN1KMT2A
SCHEMBL29185456 0.80 MMP3 (0.40) ENPP2MMP3PGRMAOBHDAC1
1,3-Propanediol SCHEMBL29185450 0.80 ENPP2 (0.45) ENPP2MGLL
SCHEMBL29210693 0.79 ENPP2 (0.42) ENPP2MMP3MAOBMAPTALDH1A1
SCHEMBL1618099 0.77 ALDH1A1 (0.56) MMP3MAOBHDAC1HDAC2MAPT
SCHEMBL7959136 0.76 MAPT (0.54) MMP3MAOBHDAC1HDAC2MAPT
1,3-Propanediol SCHEMBL28400464 0.75 ALDH1A1 (0.45) HDAC1HDAC2ALDH1A1CA2CA1
SCHEMBL14665672 0.74 HRH3 (0.57) MMP3MAOBHDAC1HDAC2MAPT
SCHEMBL17274247 0.74 HRH3 (0.57) MMP3MAOBHDAC1HDAC2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117497840-A Gel electrolyte, preparation method thereof and sodium ion battery 广东省豪鹏新能源科技有限公司 2024-02-02 CN claimed
CN-117497840-A Gel electrolyte, preparation method thereof and sodium ion battery 广东省豪鹏新能源科技有限公司 2024-02-02 CN disclosed