SCHEMBL7813282

SCHEMBL7813282

COc1cccc(C(=O)O)c1OS(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
HTT P42858 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.50
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
KAT6A Q92794 1/20 0.46
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
FABP4 P15090 2/20 0.44
HTR6 P50406 1/20 0.44
FABP3 P05413 1/20 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
SCHEMBL190382 0.80 ALDH1A1 (0.51) LMNAHTTALDH1A1MAPTKMT2A
SCHEMBL31664216 0.80 ALDH1A1 (0.51) LMNAHTTALDH1A1MAPTKMT2A
SCHEMBL30689781 0.79 HTT (0.46) HTTALDH1A1MAPTKMT2AKAT6A
SCHEMBL3252726 0.79 HTT (0.46) HTTALDH1A1MAPTKMT2AKAT6A
SCHEMBL1665951 0.79 MAPT (0.69) LMNAHTTALDH1A1MAPTKMT2A
SCHEMBL29603325 0.79 MAPT (0.59) LMNAHTTALDH1A1MAPTKMT2A
SCHEMBL152563 0.79 MAPT (0.59) LMNAHTTALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL4229730 0.77 MAPT (0.58) LMNAHTTALDH1A1MAPTKMT2A
SCHEMBL9191986 0.77 MAPT (0.58) LMNAHTTALDH1A1MAPTKMT2A
SCHEMBL27617245 0.77 MAPT (0.58) LMNAHTTALDH1A1MAPTKMT2A

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