Butyrolactone

Butyrolactone

SCHEMBL2125228

NCc1ccncc1.O=C1CCCO1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.53
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
HRH1 P35367 2/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP2A6 P11509 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 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
Benzylamine SCHEMBL9080449 0.78 CA1 (0.55) LOXL2CA1CA9ALDH1A1LMNA
SCHEMBL41000 0.73
Butyrolactone SCHEMBL27978787 0.71 CA1 (0.74) CA1CA9ALDH1A1LMNATP53
Hydrochloric Acid SCHEMBL17337033 0.71 LOXL2 (0.94) LOXL2HRH1ALDH1A1HRH3CYP2A6
Bromide SCHEMBL28651610 0.71
Hydrochloric Acid SCHEMBL2674696 0.71
Iodide SCHEMBL31192174 0.71
Butyrolactone SCHEMBL1271043 0.71 CA1 (0.82) CA1CA9ALDH1A1LMNATP53
Butyrolactone SCHEMBL9421121 0.71
Butyrolactone SCHEMBL29433925 0.71

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-2444462-A1 ELECTRICALLY CONDUCTIVE INK AND PROCESS FOR PRODUCTION OF BASE MATERIAL HAVING ELECTRICALLY CONDUCTIVE COATING FILM ATTACHED THERETO USING SAME Bando Chemical Industries, Ltd. (JP) 2012-04-25 EP claimed