1,4-Butanediol

1,4-Butanediol

SCHEMBL10595488

C=C(CC=Cc1ccccc1)C(=O)OC.OCCCCO

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.49
MAOB P27338 4/20 0.46
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
MAOA P21397 3/20 0.41
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 2/20 0.37
HDAC1 Q13547 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
APP P05067 1/20 0.36
MAPT P10636 1/20 0.36
GLA P06280 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
MAPK1 P28482 1/20 0.36
HAO1 Q9UJM8 1/20 0.36

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
SCHEMBL96726 0.93 PAM (0.56) PAMMAOBCYP4F2CYP4A11MAOA
Butadiene SCHEMBL337854 0.89 PAM (0.51) PAMMAOBCYP4F2CYP4A11MAOA
Methacrylic Acid SCHEMBL491632 0.87 PAM (0.50) PAMMAOBCYP4F2CYP4A11MAOA
SCHEMBL678463 0.87 PAM (0.50) PAMMAOBCYP4F2CYP4A11MAOA
SCHEMBL4932016 0.85 PAM (0.45) PAMMAOBCYP4F2CYP4A11MAOA
SCHEMBL9478021 0.85 PAM (0.47) PAMMAOBCYP4F2CYP4A11MAOA
Acrylonitrile SCHEMBL3628806 0.84 PAM (0.46) PAMMAOBCYP4F2CYP4A11MAOA
SCHEMBL5496306 0.83 PAM (0.45) PAMMAOBCYP4F2CYP4A11MAOA
SCHEMBL17687601 0.82 PAM (0.42) PAMMAOBCYP4F2CYP4A11MAOA
Acrylonitrile SCHEMBL3797624 0.82 PAM (0.44) PAMMAOBCYP4F2CYP4A11MAOA

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
EP-0299468-A2 Polycarbonate resin composition with dienic impact modifiers Takeda Chemical Industries, Ltd. (JP) 1989-01-18 EP disclosed