SCHEMBL7379822

SCHEMBL7379822

O=C(NN1CCCC1=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.52
PREP P48147 2/20 0.48
MGAT2 Q10469 1/20 0.46
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL10832646 0.92 PREP (0.47) CASP1PREPGAALMNASMN1; SMN2
SCHEMBL876242 0.83 CASP1 (0.48) CASP1GAALMNASMN1; SMN2CA12
SCHEMBL10513169 0.81 GAA (0.54) PREPGAALMNASMN1; SMN2CA12
SCHEMBL15201849 0.80 F10 (0.56) PREPGAALMNASMN1; SMN2CA12
SCHEMBL10493479 0.78 PREP (0.47) PREPGAALMNASMN1; SMN2CA12
SCHEMBL5647759 0.77 LIPE (0.49) GAALMNASMN1; SMN2CA12CA1
SCHEMBL7045087 0.77 NPC1 (0.61) PREPGAALMNASMN1; SMN2CA12
SCHEMBL10671107 0.77 GAA (0.46) PREPGAALMNASMN1; SMN2CA12
SCHEMBL3864756 0.77 HTT (0.53) PREPGAALMNASMN1; SMN2CA12
SCHEMBL2553604 0.77 HTT (0.53) PREPGAALMNASMN1; SMN2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975612-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2001-06-13 EP claimed
EP-0975612-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-02 EP claimed
WO-1998046582-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-22 WO claimed
EP-0975612-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2001-06-13 EP disclosed
EP-0975612-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-02 EP disclosed
WO-1998046582-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-22 WO disclosed