1,4-Butanediol

1,4-Butanediol

SCHEMBL8097296

OCC(CO)CO.OCCCCO

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 4/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 4/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
THRB P10828 1/20 0.32
CAMK2A Q9UQM7 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
SCHEMBL39091 0.82 LMNA (0.50) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
1,4-Butanediol SCHEMBL11552182 0.82 LMNA (0.43) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL37777 0.82
SCHEMBL9099182 0.79 LMNA (0.55) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL9099634 0.79 LMNA (0.55) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL9862682 0.79 LMNA (0.55) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL16121005 0.79 LMNA (0.55) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
Butyl Alcohol SCHEMBL16459617 0.79 ALDH1A1 (0.69) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL263657 0.79 LMNA (0.55) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL9097489 0.79 LMNA (0.55) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10

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
US-6042994-A FORMING A NANOPOROUS DIELECTRIC COMPOSITION ON A SUBSTRATE, OPTIONALLY SURFACE MODIFYING IT, OPTIONALLY HEATING TO EVAPORATE SOLVENT, EXPOSING TO ELECTRON BEAM RADIATION, AND OPTIONALLY THERMAL ANNEALING; STRENGTH, SOLVENT RESISTANCE ALLIEDSIGNAL INC. (US) 2000-03-28 US disclosed