1,4-Butanediol

1,4-Butanediol

SCHEMBL5574236

CCCCCCC(C(=O)O)N1C(=O)C=CC1=O.OCCCCO

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
MGLL Q99685 2/20 0.40
MAPT P10636 1/20 0.40
FAAH O00519 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
SPHK1 Q9NYA1 1/20 0.37
DNMT1 P26358 1/20 0.36

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 SCHEMBL2111410 0.95 GPR84 (0.42) GPR84FFAR1PTGS1PTGS2MGLL
SCHEMBL43883 0.94 GPR84 (0.46) GPR84FFAR1PTGS1PTGS2MGLL
SCHEMBL1574549 0.94 GPR84 (0.46) GPR84FFAR1PTGS1PTGS2MGLL
SCHEMBL30634818 0.94 GPR84 (0.46) GPR84FFAR1PTGS1PTGS2MGLL
SCHEMBL6940135 0.94 GPR84 (0.46) GPR84FFAR1PTGS1PTGS2MGLL
SCHEMBL6934782 0.94 GPR84 (0.46) GPR84FFAR1PTGS1PTGS2MGLL
Hydrochloric Acid SCHEMBL6934814 0.92 GPR84 (0.44) GPR84FFAR1PTGS1PTGS2MGLL
SCHEMBL258485 0.92 GPR84 (0.44) GPR84FFAR1PTGS1PTGS2MGLL
SCHEMBL258604 0.92 GPR84 (0.44) GPR84FFAR1PTGS1PTGS2MGLL
SCHEMBL6939609 0.92 GPR84 (0.43) GPR84FFAR1PTGS1PTGS2MGLL

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