1,4-Butanediol

1,4-Butanediol

SCHEMBL3728508

CCCOC(=O)CCCO.OCCCCO

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.57
MGLL Q99685 1/20 0.49
DNM1 Q05193 1/20 0.47
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
PAM P19021 2/20 0.42
NAAA Q02083 1/20 0.42
CYP1A2 P05177 1/20 0.42
ACHE P22303 5/20 0.42
KDM4E B2RXH2 1/20 0.42
DUSP3 P51452 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL1934156 0.98 DGKA (0.59) DGKAMGLLDNM1MAPTMAPK1
SCHEMBL3503110 0.96 DGKA (0.63) DGKAMGLLDNM1MAPTMAPK1
SCHEMBL28920302 0.96 DGKA (0.57) DGKAMGLLDNM1MAPTMAPK1
Ethylene Glycol SCHEMBL3744656 0.96 DGKA (0.57) DGKAMGLLDNM1MAPTMAPK1
SCHEMBL439238 0.94 DGKA (0.67) DGKAMGLLDNM1MAPTPAM
SCHEMBL7356056 0.94 DGKA (0.67) DGKAMGLLDNM1MAPTPAM
SCHEMBL29288164 0.94 DGKA (0.67) DGKAMGLLDNM1MAPTPAM
SCHEMBL1683708 0.94 DGKA (0.67) DGKAMGLLDNM1MAPTPAM
SCHEMBL3504029 0.94 DGKA (0.67) DGKAMGLLDNM1MAPTPAM
SCHEMBL96911 0.94 DGKA (0.67) DGKAMGLLDNM1MAPTPAM

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