1,4-Butanediol

1,4-Butanediol

SCHEMBL29131473

O=Cc1ccc(C=O)cc1.OCCCCO

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.55
ABAT P80404 1/20 0.55
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP2A6 P11509 4/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 1/20 0.47
ALDH1A3 P47895 2/20 0.44
ALDH3A1 P30838 1/20 0.44
EGFR P00533 2/20 0.43
TYR P14679 1/20 0.42
PTGS2 P35354 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2A13 Q16696 1/20 0.42
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38

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
SCHEMBL16407984 0.87 CA2 (0.52) ALDH5A1ABATALDH1A1KDM4ECYP2A6
Butyl Alcohol SCHEMBL29046430 0.85 ALDH1A1 (0.50) ALDH5A1ABATALDH1A1KDM4ECYP2A6
SCHEMBL9672456 0.85 CA2 (0.53) ALDH5A1ABATALDH1A1KDM4EHSD17B10
SCHEMBL2457708 0.84 CA2 (0.50) ALDH5A1ABATALDH1A1KDM4ECYP2A6
SCHEMBL7613986 0.83 ALDH1A1 (0.59) ALDH1A1KDM4ECYP2A6KMT2AALDH1A3
SCHEMBL12933662 0.82 ALDH1A1 (0.57) ALDH1A1KDM4ECYP2A6KMT2ALMNA
SCHEMBL14722557 0.82 ALDH1A1 (0.57) ALDH1A1KDM4ECYP2A6KMT2ALMNA
SCHEMBL6850140 0.82 ALDH1A1 (0.57) ALDH1A1KDM4ECYP2A6KMT2ALMNA
SCHEMBL14723254 0.82 ALDH1A1 (0.57) ALDH1A1KDM4ECYP2A6KMT2ALMNA
SCHEMBL2222324 0.82 ALDH1A1 (0.57) ALDH1A1KDM4ECYP2A6KMT2ALMNA

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-220242650-U Anti-wrinkling nylon fabric 富天纺织(嘉兴)有限公司 2023-12-26 CN disclosed