1,4-Butanediol

1,4-Butanediol

SCHEMBL28048097

O=C(Cl)CCC(=O)Cl.OCCCCO

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
GPR84 Q9NQS5 1/20 0.48
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 4/20 0.45
CAMK2A Q9UQM7 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
LMNA P02545 3/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.30

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
SCHEMBL10359881 0.90
SCHEMBL202630 0.88
SCHEMBL21295305 0.88 TSHR (0.59) ALDH1A1GPR84FFAR1FFAR4TP53
1,6-Hexanediol SCHEMBL6558431 0.88 TSHR (0.59) ALDH1A1GPR84FFAR1FFAR4TP53
SCHEMBL10455968 0.88 TSHR (0.59) ALDH1A1GPR84FFAR1FFAR4TP53
SCHEMBL3872235 0.87
Ethylene Glycol SCHEMBL9251305 0.86 TSHR (0.50) ALDH1A1GPR84FFAR1FFAR4TP53
1,4-Butanediol SCHEMBL10945004 0.82 GPR84 (0.47) ALDH1A1GPR84FFAR1FFAR4TP53
SCHEMBL43375 0.82
Ethylene Glycol SCHEMBL6557377 0.80 TSHR (0.57) ALDH1A1GPR84FFAR1FFAR4TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105164268-A Processing biomass XYLECO INC 2015-12-16 CN disclosed