1,4-Butanediol

1,4-Butanediol

SCHEMBL3744516

CCOC(C(=O)O)C(O)C(=O)O.OCCCCO

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGD P52209 1/20 0.35
CYP4F2 P78329 3/20 0.33
CYP4A11 Q02928 3/20 0.33
TSHR P16473 2/20 0.33
CYP2C9 P11712 1/20 0.32
PDE4A P27815 1/20 0.32
GPR84 Q9NQS5 4/20 0.31
FFAR1 O14842 2/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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 SCHEMBL3738613 0.92 PGD (0.37) PGDTSHRCYP2C9PDE4A
SCHEMBL2963336 0.90 TSHR (0.41) PGDTSHRCYP2C9PDE4ACHRM1
1,4-Butanediol SCHEMBL3736478 0.85 ACHE (0.33) PGDTSHRCYP2C9GPR84FFAR1
Di(Hydroxyethyl)Ether SCHEMBL3731848 0.85 ALDH1A1 (0.40) PGDTSHRCYP2C9PDE4A
Propylene Glycol SCHEMBL3729380 0.85 TDP1 (0.39) PGDTSHRCYP2C9PDE4ATDP1
1,4-Butanediol SCHEMBL3743070 0.84 SMN1; SMN2 (0.37) TSHRGPR84FFAR1SMN1; SMN2LMNA
SCHEMBL3463165 0.80 TSHR (0.36) PGDTSHRCYP2C9PDE4A
1,4-Butanediol SCHEMBL3733977 0.80 SLC1A3 (0.43) PGDCYP4F2CYP4A11TSHRCYP2C9
SCHEMBL3739748 0.79 TSHR (0.43) CYP4F2CYP4A11TSHR
SCHEMBL3728703 0.79 TSHR (0.43) CYP4F2CYP4A11TSHR

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