SCHEMBL5332387

SCHEMBL5332387

CC(CNCCCS(=O)(=O)O)c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
KMT2A Q03164 1/20 0.38
CA2 P00918 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.35
POLB P06746 3/20 0.35
TP53 P04637 3/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX5 P09917 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL353990 0.81 LMNA (0.39) LMNAKMT2AL3MBTL1CYP2D6CYP2C9
SCHEMBL356632 0.81 TDP1 (0.42) LMNAKMT2AL3MBTL1MAPTPOLB
SCHEMBL5332672 0.78 CA2 (0.40) CA2CYP2D6ALOX5
SCHEMBL354038 0.75 KMT2A (0.41) LMNAKMT2ACYP2C19MAPTPOLB
SCHEMBL353848 0.74 SLC2A1 (0.38) CA2CYP2C9CYP2C19ALDH1A1
SCHEMBL354403 0.74 CA2 (0.36) LMNACA2MAPTPOLBTP53
SCHEMBL354355 0.73 MAOB (0.59) LMNAKMT2AL3MBTL1CYP2C19MAPT
SCHEMBL5503364 0.72 CA2 (0.40) LMNAKMT2ACA2L3MBTL1POLB
SCHEMBL5319188 0.72 RAB9A (0.49) LMNAKMT2APOLBALDH1A1ALOX5
SCHEMBL6009871 0.72 CA1 (0.44) CA2CYP2D6CYP2C9CYP2C19TP53

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