1,4-Butanediol

1,4-Butanediol

SCHEMBL3736935

CCCOCC(=O)O.OCCCCO

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
CES2 O00748 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PAM P19021 2/20 0.38
ACHE P22303 6/20 0.38
CAMK2A Q9UQM7 1/20 0.37

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 SCHEMBL3732637 0.91 EPHX2 (0.40) EPHX2CES2LMNATSHRALDH1A1
1,4-Butanediol SCHEMBL3742680 0.89 TSHR (0.52) EPHX2CES2SMN1; SMN2LMNATSHR
SCHEMBL295696 0.89
Di(Hydroxyethyl)Ether SCHEMBL3728780 0.87 TSHR (0.48) EPHX2CES2TSHRALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL10339700 0.86
SCHEMBL28636215 0.86
SCHEMBL3731876 0.86 TSHR (0.54) EPHX2CES2SMN1; SMN2TSHRMEN1
SCHEMBL17947537 0.84 CES2 (0.47) EPHX2CES2TSHRMEN1KMT2A
SCHEMBL11745437 0.84 GPR84 (0.44) EPHX2CES2GPR84FFAR1FFAR4
SCHEMBL12703479 0.84 EPHX2 (0.41) EPHX2CES2LMNATSHRALDH1A1

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