SCHEMBL9030320

SCHEMBL9030320

[CH]NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
ALDH1A1 P00352 3/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
POLB P06746 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KMT2A Q03164 1/20 0.55
MIF P14174 1/20 0.54
CTRB1 P17538 2/20 0.53
MGLL Q99685 1/20 0.53

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
SCHEMBL2295789 0.85 CA12 (0.66) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL234454 0.83 LMNA (0.62) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL11161020 0.82 LMNA (0.61) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL1950181 0.82 LMNA (0.61) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL7301816 0.81 LMNA (0.65) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL9673742 0.81 ALDH1A1 (0.63) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL550351 0.80 NPC1 (0.60) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL13055383 0.80 LMNA (0.80) LMNASMN1; SMN2CA12CA1CA2
Benzyl N-Methylcarbamate SCHEMBL645204 0.80 ALDH1A1 (0.62) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL11651843 0.80 CA12 (0.60) LMNASMN1; SMN2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0444482-B1 Oxetanones HOFFMANN LA ROCHE (CH) 1996-01-17 EP claimed
US-5260310-A Oxetanone compounds and pharmaceutical compositions containing them HOFFMANN-LA ROCHE INC. (US) 1993-11-09 US claimed
EP-0444482-A2 Oxetanones F. HOFFMANN-LA ROCHE AG (CH) 1991-09-04 EP claimed
EP-0444482-B1 Oxetanones HOFFMANN LA ROCHE (CH) 1996-01-17 EP disclosed
US-5466708-A Carbamyloxyoxetanone compounds HOFFMANN-LA ROCHE INC. (US) 1995-11-14 US disclosed
US-5376674-A Lipase inhibitors HOFFMAN-LA ROCHE INC. (US) 1994-12-27 US disclosed
US-5260310-A Oxetanone compounds and pharmaceutical compositions containing them HOFFMANN-LA ROCHE INC. (US) 1993-11-09 US disclosed
EP-0444482-A2 Oxetanones F. HOFFMANN-LA ROCHE AG (CH) 1991-09-04 EP disclosed
US-4401594-A PROTEOLYTIC ENZYME INHIBIJTORS; CARDIOVASCULAR AND MUSCULAR DISORDERS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-08-30 US disclosed