SCHEMBL7813686

SCHEMBL7813686

Cc1ccc(S(=O)(=O)N(CCCC(=O)O)c2cc(Cl)ccc2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.57
PSEN2 P49810 10/20 0.57
APH1B Q8WW43 10/20 0.57
NCSTN Q92542 10/20 0.57
APH1A Q96BI3 10/20 0.57
PSENEN Q9NZ42 10/20 0.57
MCOLN3 Q8TDD5 1/20 0.51
MCL1 Q07820 1/20 0.45
C5AR1 P21730 1/20 0.45
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44

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
SCHEMBL7814298 0.84 KEAP1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26159161 0.79 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7825360 0.77 KEAP1 (0.55) MCL1C5AR1KEAP1NFE2L2
SCHEMBL12407000 0.77 MEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6831270 0.76 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6518997 0.74 KEAP1 (0.65) PPARGKEAP1NFE2L2
SCHEMBL6399954 0.73 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6831152 0.73 C5AR1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19638954 0.73 MEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19892767 0.73 SMN1; SMN2 (0.58) MCOLN3KEAP1NFE2L2

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed