SCHEMBL14958738

SCHEMBL14958738

Cc1cc(O)cc(C)c1S(=O)(=O)N(C)CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
FABP4 P15090 2/20 0.41
PKM P14618 1/20 0.40
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BDKRB1 P46663 2/20 0.37
CYTH2 Q99418 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL3440010 0.84 BDKRB1 (0.50) LMNABDKRB1
SCHEMBL15372732 0.81 PKM (0.39) FABP4PKMKEAP1NFE2L2GLA
SCHEMBL3440723 0.78 MCL1 (0.45) LMNABDKRB1
SCHEMBL3440038 0.77 AVPR1B (0.45) LMNABDKRB1ALDH1A1
SCHEMBL12046776 0.76 ALDH1A1 (0.41) GAAPKMGLAMAPTLMNA
SCHEMBL4894187 0.76 PKM (0.49) FABP4PKMKEAP1NFE2L2GLA
SCHEMBL3007624 0.76 BDKRB1 (0.49) GAALMNABDKRB1
SCHEMBL13942842 0.75 BDKRB1 (0.48) BDKRB1
SCHEMBL3440369 0.75 BDKRB1 (0.48) GAABDKRB1
SCHEMBL14033588 0.73 BDKRB1 (0.56) BDKRB1

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-2284166-B1 Arylsulfonamides with analgetic activity BOEHRINGER INGELHEIM INT (DE) 2013-10-16 EP disclosed
EP-2402329-B1 Analgetic phenylsulphonamides BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed