Butyrolactone

Butyrolactone

SCHEMBL8376576

CCCOC(=O)C(CC)C(=O)OCC.O=C1CCCO1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
ATM Q13315 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2D6 P10635 1/20 0.32
TDP1 Q9NUW8 3/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
GAA P10253 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 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
Butyrolactone SCHEMBL5017200 0.79 CA1 (0.44) CA1CA9ATMALDH1A1MAPT
Acetic Acid Propyl Ester SCHEMBL21270020 0.79 CA1 (0.44) CA1CA9ATMALDH1A1MAPT
SCHEMBL452623 0.78 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10SMN1; SMN2TDP1
Butyrolactone SCHEMBL3294240 0.78 CA1 (0.42) CA1CA9ATMALDH1A1MAPT
Butyrolactone SCHEMBL9134210 0.78 CA1 (0.42) CA1CA9ATMALDH1A1MAPT
Butyrolactone SCHEMBL2696582 0.77 CA1 (0.48) CA1CA9ATMALDH1A1MAPT
Butyrolactone SCHEMBL2036135 0.76 CA1 (0.44) CA1CA9ATMALDH1A1TSHR
Ethyl Acetate SCHEMBL2248792 0.76 ALDH1A1 (0.50) CA1CA9ATMALDH1A1TSHR
Urethane SCHEMBL22471765 0.74 ALOX15 (0.52) CA1CA9ATMALDH1A1MAPT
Ethyl Propionate SCHEMBL2256850 0.74 CA1 (0.45) CA1CA9ATMALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903382-A1 Semi-solid hot melt ink compositions containing esters XEROX CORPORATION (US) 1999-03-24 EP claimed
US-5876492-A Ink compositions containing esters XEROX CORPORATION (US) 1999-03-02 US claimed
EP-0903382-A1 Semi-solid hot melt ink compositions containing esters XEROX CORPORATION (US) 1999-03-24 EP disclosed