SCHEMBL7820979

SCHEMBL7820979

O=C(O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
APEX1 P27695 2/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 4/20 0.57
MAPK1 P28482 2/20 0.57
CYP3A4 P08684 1/20 0.57
KDM4E B2RXH2 3/20 0.53
SLC16A1 P53985 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CASP1 P29466 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
METAP2 P50579 2/20 0.46
HPGD P15428 2/20 0.45
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 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
SCHEMBL8999902 0.91 APEX1 (0.70) POLBAPEX1CTDSP1L3MBTL1ALDH1A1
SCHEMBL65212 0.89 APEX1 (0.67) POLBAPEX1CTDSP1L3MBTL1ALDH1A1
SCHEMBL1397921 0.89 APEX1 (0.67) POLBAPEX1CTDSP1L3MBTL1ALDH1A1
SCHEMBL29364883 0.89 APEX1 (0.67) POLBAPEX1CTDSP1L3MBTL1ALDH1A1
SCHEMBL29394064 0.89 APEX1 (0.67) POLBAPEX1CTDSP1L3MBTL1ALDH1A1
SCHEMBL268999 0.87 APEX1 (0.65) POLBAPEX1CTDSP1L3MBTL1ALDH1A1
SCHEMBL10450423 0.85 APEX1 (0.64) POLBAPEX1CTDSP1L3MBTL1ALDH1A1
SCHEMBL5426543 0.85 APEX1 (0.64) POLBAPEX1CTDSP1L3MBTL1ALDH1A1
SCHEMBL29435082 0.85 APEX1 (0.64) POLBAPEX1CTDSP1L3MBTL1ALDH1A1
SCHEMBL1296081 0.85 APEX1 (0.64) POLBAPEX1CTDSP1L3MBTL1ALDH1A1

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 4 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
US-5530130-A DYEING PLASTICS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
EP-0639624-A1 Phthaloperinone dyestuffs BAYER AG (DE) 1995-02-22 EP disclosed