SCHEMBL7086849

SCHEMBL7086849

CC(C)C(NS(=O)(=O)NC(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
ALDH1A1 P00352 3/20 0.45
POLB P06746 3/20 0.42
KEAP1 Q14145 3/20 0.41
NFE2L2 Q16236 3/20 0.41
KMT2A Q03164 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GMNN O75496 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
PMP22 Q01453 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MMP2 P08253 2/20 0.39
MMP3 P08254 2/20 0.39

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
SCHEMBL6639307 0.80 LMNA (0.42) ALDH1A1CA12CA9LMNA
SCHEMBL8984942 0.77 NLRP3 (0.53)
SCHEMBL11214430 0.76 HDAC1 (0.62) HDAC1ALDH1A1POLBKEAP1NFE2L2
SCHEMBL2392454 0.73 KMT2A (0.43) ALDH1A1POLBKMT2ANPSR1LMNA
SCHEMBL3217835 0.72 HTT (0.51) ALDH1A1NPSR1KDM4EMMP2MMP9
SCHEMBL3202261 0.71 CA14 (0.38) CA12CA7CA9CA14KDM4E
SCHEMBL10037153 0.71 ALDH1A1 (0.60) ALDH1A1KMT2ACA12CA7CA9
SCHEMBL185646 0.71 HDAC1 (0.60) HDAC1ALDH1A1POLBKMT2ALMNA
SCHEMBL3221517 0.70 CYP2C19 (0.41) CA12CA7CA9CA14LMNA
SCHEMBL19652080 0.69 POLB (0.60) HDAC1ALDH1A1POLBKEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592439-B1 AMINOSULFONYL CARBAMATES WARNER LAMBERT CO (US) 2003-07-30 EP claimed