1,4-Butanediol

1,4-Butanediol

SCHEMBL3746441

CCCCOC(=O)CCCO.OCCCCO

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.61
MGLL Q99685 1/20 0.51
ALDH1A1 P00352 1/20 0.50
NAAA Q02083 1/20 0.50
DNM1 Q05193 1/20 0.50
ACHE P22303 6/20 0.49
HTR2C P28335 1/20 0.49
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ATM Q13315 1/20 0.47
PAM P19021 2/20 0.46
KDM4E B2RXH2 1/20 0.44
DUSP3 P51452 1/20 0.44

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
SCHEMBL1067160 0.98 DGKA (0.63) DGKAMGLLALDH1A1NAAADNM1
Ethylene Glycol SCHEMBL3734338 0.96 DGKA (0.61) DGKAMGLLALDH1A1NAAADNM1
SCHEMBL317440 0.96 DGKA (0.67) DGKAMGLLALDH1A1NAAADNM1
SCHEMBL3503023 0.94 DGKA (0.70) DGKANAAADNM1ACHEHTR2C
SCHEMBL6728610 0.94 DGKA (0.70) DGKANAAADNM1ACHEHTR2C
SCHEMBL29288177 0.94 DGKA (0.70) DGKANAAADNM1ACHEHTR2C
SCHEMBL8847123 0.94 DGKA (0.70) DGKANAAADNM1ACHEHTR2C
SCHEMBL19709434 0.94 DGKA (0.70) DGKANAAADNM1ACHEHTR2C
SCHEMBL3503231 0.94 DGKA (0.70) DGKANAAADNM1ACHEHTR2C
SCHEMBL1683937 0.94 DGKA (0.70) DGKANAAADNM1ACHEHTR2C

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
US-7825178-B2 Leveling agent for floor polish and aqueous floor polish composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-11-02 US disclosed
US-20070289481-A1 Leveling Agent for Floor Polish and Aqueous Floor Polish Composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-12-20 US disclosed