1,3-Propanediol

1,3-Propanediol

SCHEMBL8328751

C=Cc1ccc2ccccc2c1C=C.C=Cc1cccc(C=C)c1C=C.OCCCO

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 2/20 0.39
CHAT P28329 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
THRB P10828 2/20 0.36
ALOX15 P16050 1/20 0.36
MPI P34949 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ERN1 O75460 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33

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 SCHEMBL8328750 0.90 CHAT (0.39) ALDH1A1KDM4EMAPTTSHRHSD17B10
SCHEMBL9435363 0.89 ALDH1A1 (0.41) ALDH1A1MAPTTSHRHSD17B10HPGD
SCHEMBL5276453 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTTSHRHSD17B10
SCHEMBL30020418 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTTSHRHSD17B10
SCHEMBL56791 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTTSHRHSD17B10
Benzene SCHEMBL8512075 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTTSHRHSD17B10
SCHEMBL8546922 0.81 HPRT1 (0.48) ALDH1A1MAPTTSHRHSD17B10HPGD
SCHEMBL1930128 0.78 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTTSHRHSD17B10
SCHEMBL28091892 0.78 SIRT2 (0.45) ALDH1A1KDM4ETSHRHSD17B10CHAT
SCHEMBL6153988 0.78 LMNA (0.38) ALDH1A1KDM4EMAPTHPGDGAA

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-5863973-A APPLYING AIRCRAFT AN AQUEOUS GLYCOL AND/OR GLYCERIN SOLUTION THICKENED WITH A POLYMERIC THICKENER, AND/OR ITS SALT AFTER NEUTRALIZATION, ADHERENCE TO AIRCRAFT SURFACES, PERMIT ITS WINDSHEAR-INDUCED REMOVAL DURING TAKEOFF UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-01-26 US disclosed