Sugi Predict

Sugi Predict / Compounds / Butyrolactone

Butyrolactone

Butyrolactone

SCHEMBL7617264

CC(=O)C1CCC(=O)O1.O=C1CCCO1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32

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
SCHEMBL12956481 0.86 — —
SCHEMBL15116733 0.86 — —
SCHEMBL274337 0.86 — —
SCHEMBL3628734 0.82 CA1 (0.40) CA1CA9CYP2D6
SCHEMBL2859513 0.80 CA1 (0.39) CA1CA9LMNATSHR
Butyrolactone SCHEMBL7650673 0.78 CA1 (0.64) CA1CA9ALDH1A1LMNATP53
Butyrolactone SCHEMBL10999881 0.76 CA1 (0.61) CA1CA9ALDH1A1LMNATP53
Butyrolactone SCHEMBL5065992 0.75 CA1 (0.69) CA1CA9ALDH1A1LMNATP53
Butyrolactone SCHEMBL21611328 0.73 — —
Butyrolactone SCHEMBL25327385 0.72 CA1 (0.56) CA1CA9ALDH1A1LMNATP53

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-1250450-A2 QUORUM SENSING SIGNALING IN BACTERIA University of Iowa Research Foundation Inc. (US) 2002-10-23 — — EP disclosed
WO-2001018248-A2 QUORUM SENSING SIGNALING IN BACTERIA THE UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2001-03-15 — — WO disclosed