SCHEMBL5332672

SCHEMBL5332672

Cc1ccc(C(C)CNCCCS(=O)(=O)O)s1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
ALOX5 P09917 1/20 0.35
CYP2D6 P10635 1/20 0.30

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
SCHEMBL5332387 0.78 LMNA (0.39) CA2ALOX5CYP2D6
SCHEMBL5503364 0.72 CA2 (0.40) CA2
SCHEMBL354403 0.71 CA2 (0.36) CA2ALOX5
SCHEMBL917453 0.70 CA2 (0.46) CA2CYP2D6
SCHEMBL5332669 0.70 SIGMAR1 (0.35) CA2CYP2D6
SCHEMBL6009871 0.69 CA1 (0.44) CA2CYP2D6
SCHEMBL353848 0.69 SLC2A1 (0.38) CA2
SCHEMBL7919805 0.69 CA2 (0.45) CA2CYP2D6
SCHEMBL918439 0.69 KMT2A (0.38) CA2
SCHEMBL918428 0.69 KMT2A (0.38) CA2

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-1836161-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-26 EP disclosed
WO-2006085149-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-08-17 WO disclosed