1,4-Butanediol

1,4-Butanediol

SCHEMBL28150883

O=C1C=CC(=O)N1.OCCCCO

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.61
GSK3B P49841 1/20 0.61
CCR6 P51684 1/20 0.61
DAO P14920 1/20 0.38
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
RGS12 O14924 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PABPC1 P11940 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR84 Q9NQS5 2/20 0.33
HLCS P50747 1/20 0.32
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 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
1-Pentanol SCHEMBL7857114 0.89 SMN1; SMN2 (0.52) GSK3AGSK3BCCR6LMNAHTT
Ethylene Glycol SCHEMBL3504936 0.88 GSK3A (0.69) GSK3AGSK3BCCR6
Ethylene Glycol SCHEMBL169532 0.88 GSK3A (0.69) GSK3AGSK3BCCR6
Decanol SCHEMBL28133183 0.87 LMNA (0.54) GSK3AGSK3BCCR6LMNAHTT
Butyl Alcohol SCHEMBL9792905 0.85 ALDH1A1 (0.50) GSK3AGSK3BCCR6LMNASMN1; SMN2
SCHEMBL28672453 0.83 GSK3A (0.42) GSK3AGSK3BCCR6DAOLMNA
SCHEMBL6037276 0.82 GSK3A (0.41) GSK3AGSK3BCCR6LMNACYP3A4
Alcohol SCHEMBL4116686 0.80 GSK3A (0.65) GSK3AGSK3BCCR6LMNAALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL28982367 0.79 GSK3A (0.55) GSK3AGSK3BCCR6HTTMEN1
Di(Hydroxyethyl)Ether SCHEMBL16632726 0.79 GSK3A (0.55) GSK3AGSK3BCCR6HTTMEN1

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-106715500-A Resin composition, polymerizable resin composition, photosensitive resin composition, and cured products of said resin compositions 日本化药株式会社 2017-05-24 CN disclosed