SCHEMBL5610149

SCHEMBL5610149

NN[C@@H](CSCc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.58
PPARA Q07869 6/20 0.54
PPARG P37231 4/20 0.54
PPARD Q03181 2/20 0.49

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
SCHEMBL14047386 0.89 ACE (0.50) ACEPPARAPPARG
SCHEMBL8658899 0.84 ACE (0.63) ACEPPARAPPARGPPARD
SCHEMBL8658895 0.84 ACE (0.63) ACEPPARAPPARGPPARD
SCHEMBL8997921 0.83 ACE (0.62) ACEPPARAPPARGPPARD
SCHEMBL8997911 0.83 ACE (0.62) ACEPPARAPPARGPPARD
SCHEMBL3963125 0.83 ACE (0.58) ACEPPARAPPARGPPARD
SCHEMBL3963130 0.83 ACE (0.58) ACEPPARAPPARGPPARD
SCHEMBL5217215 0.83 ACE (0.62) ACEPPARAPPARGPPARD
SCHEMBL2240346 0.82 ACE (0.57) ACEPPARAPPARGPPARD
Hydrochloric Acid SCHEMBL18260619 0.82 ACE (0.57) ACEPPARAPPARGPPARD

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-1817324-A2 SYNTHESES OF POLYAMINE CONJUGATES OF SMALL INTERFERING RNAS (SI-RNAS) AND CONJUGATES FORMED THEREBY Andino, Raul (US) 2007-08-15 EP disclosed
WO-2006052854-A2 SYNTHESES OF POLYAMINE CONJUGATES OF SMALL INTERFERING RNAS (SI-RNAS) AND CONJUGATES FORMED THEREBY ANDINO RAUL (US) 2006-05-18 WO disclosed