SCHEMBL4563380

SCHEMBL4563380

O=C1CCCC(=O)S1(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.35
TRIM24 O15164 2/20 0.33
TRIM33 Q9UPN9 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL4618635 0.67
SCHEMBL3013362 0.65
SCHEMBL9323692 0.62
SCHEMBL276387 0.62
SCHEMBL8467316 0.59
SCHEMBL289021 0.59
SCHEMBL3107242 0.59
SCHEMBL1566729 0.59 TRIM24 (0.82) CRBNTRIM24TRIM33ALDH1A1
SCHEMBL3111600 0.59
SCHEMBL3002760 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1380573-B1 Isoquinolines and preparation thereof AVERA PHARMACEUTICALS INC (US) 2009-05-06 EP disclosed
EP-0971898-B1 SUBSTITUTED ISOQUINOLINES AS ULTRA SHORT ACTING NEUROMUSCULAR BLOCKERS AVERA PHARMACEUTICALS INC (US) 2005-05-11 EP disclosed
EP-1526130-A1 Substituted isoquinolines as ultra short acting neuromuscular blockers Avera Pharmaceuticals, Inc. (US) 2005-04-27 EP disclosed
EP-1380573-A2 Isoquinolines and preparation thereof Avera Pharmaceuticals, Inc. (US) 2004-01-14 EP disclosed
EP-0975599-B1 SUBTITUTED ISOQUINOLINES AS ULTRA SHORT ACTING NEUROMUSCULAR BLOCKERS AVERA PHARMACEUTICALS INC (US) 2003-11-12 EP disclosed
US-6187789-B1 MUSCLE RELAXANTS FOR EMERGENCY INTUBATION AND SURGERY GLAXO WELLCOME INC. 2001-02-13 US disclosed
US-6177445-B1 MUSCLE RELAXANTS GLAXO WELLCOME INC. 2001-01-23 US disclosed
EP-0975599-A1 SUBTITUTED ISOQUINOLINES AS ULTRA SHORT ACTING NEUROMUSCULAR BLOCKERS GLAXO GROUP LIMITED (GB) 2000-02-02 EP disclosed
EP-0971898-A1 SUBSTITUTED ISOQUINOLINES AS ULTRA SHORT ACTING NEUROMUSCULAR BLOCKERS GLAXO GROUP LIMITED (GB) 2000-01-19 EP disclosed
WO-1998042674-A1 SUBSTITUTED ISOQUINOLINES AS ULTRA SHORT ACTING NEUROMUSCULAR BLOCKERS GLAXO GROUP LIMITED (GB) 1998-10-01 WO disclosed
WO-1998042675-A1 SUBSTITUTED ISOQUINOLINES AS ULTRA SHORT ACTING NEUROMUSCULAR BLOCKERS GLAXO GROUP LIMITED (GB) 1998-10-01 WO disclosed