1,4-Butanediol

1,4-Butanediol

SCHEMBL5570451

O=C(O)CN1C(=O)C=CC1=O.OCCCCO

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.48
PTGS2 P35354 5/20 0.48
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
MGLL Q99685 4/20 0.43
FAAH O00519 2/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSP90AA1 P07900 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41

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 SCHEMBL28669577 0.91 PTGS1 (0.47) PTGS1PTGS2GSK3AGSK3BMGLL
SCHEMBL515800 0.89 PTGS1 (0.52) PTGS1PTGS2GSK3AGSK3BMGLL
Hydrochloric Acid SCHEMBL28991159 0.87 PTGS1 (0.50) PTGS1PTGS2GSK3AGSK3BMGLL
Alcohol SCHEMBL29133233 0.85 GSK3A (0.55) PTGS1PTGS2GSK3AGSK3BMGLL
SCHEMBL28667104 0.81 MGLL (0.50) PTGS1PTGS2GSK3AGSK3BMGLL
SCHEMBL5570446 0.76 GSK3A (0.59) PTGS1PTGS2GSK3AGSK3BMGLL
SCHEMBL3483054 0.76 MGLL (0.76) PTGS1PTGS2GSK3AGSK3BMGLL
Succinimide SCHEMBL27157818 0.75 TSHR (0.43) PTGS1PTGS2GSK3AGSK3BMGLL
SCHEMBL1055378 0.75 TSHR (0.43) PTGS1PTGS2GSK3AGSK3BMGLL
SCHEMBL20362146 0.74 PTGS1 (0.62) PTGS1PTGS2GSK3AGSK3BMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238325-B2 Very small chemical device and flow rate adjusting method therefor KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2007-07-03 US disclosed
US-20030190265-A1 Very small chemical device and flow rate adjusting method therefor KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2003-10-09 US disclosed
EP-1327474-A1 VERY SMALL CHEMICAL DEVICE AND FLOW RATE ADJUSTING METHOD THEREFOR KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2003-07-16 EP disclosed