1,4-Butanediol

1,4-Butanediol

SCHEMBL7069258

O=C=NC(N=C=O)(c1ccccc1)c1ccccc1.OCCCCO.OCCO

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
PTPN1 P18031 1/20 0.32
CYP2C19 P33261 2/20 0.32
HIF1A Q16665 1/20 0.32
CNR2 P34972 1/20 0.31
CYP1A2 P05177 2/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 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
SCHEMBL16895246 0.96 CNR2 (0.33) GAAPTPN1CYP2C19HIF1ACNR2
Ethylene Glycol SCHEMBL1014927 0.94 GAA (0.35) GAAPTPN1CYP2C19HIF1ACYP1A2
Ethylenediamine SCHEMBL16760973 0.88 KIF11 (0.38) GAACYP2C19HIF1AMAPT
SCHEMBL15413 0.84 KCNN4 (0.36) PTPN1CYP2C19HIF1ACYP1A2ALDH1A1
SCHEMBL1149592 0.84 KCNN4 (0.36) PTPN1CYP2C19HIF1ACYP1A2ALDH1A1
Water SCHEMBL10334361 0.82 KCNN4 (0.35) PTPN1CYP2C19HIF1ACYP1A2ALDH1A1
SCHEMBL8578358 0.82 KCNN4 (0.35) PTPN1CYP2C19HIF1ACYP1A2ALDH1A1
Water SCHEMBL2069627 0.82 KCNN4 (0.35) PTPN1CYP2C19HIF1ACYP1A2ALDH1A1
SCHEMBL19128956 0.82 KCNN4 (0.35) PTPN1CYP2C19HIF1ACYP1A2ALDH1A1
SCHEMBL2476985 0.82 KCNN4 (0.35) PTPN1CYP2C19HIF1ACYP1A2ALDH1A1

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
EP-1036864-B1 Polyurethane elastic yarns and stretch fabrics TOYO BOSEKI (JP) 2003-12-10 EP disclosed
EP-1036864-A1 Polyurethane elastic yarns and stretch fabrics Toyo Boseki Kabushiki Kaisha (JP) 2000-09-20 EP disclosed