SCHEMBL6936853

SCHEMBL6936853

COC(=O)c1ccc(Sc2ccc(OCCCCl)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.66
RAB9A P51151 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 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
SCHEMBL2088837 0.91 MAPT (0.79) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL6934381 0.87 MAPT (0.51) MAPTRAB9AL3MBTL1TDP1SMN1; SMN2
SCHEMBL7598720 0.86 MAPT (0.72) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL7402196 0.86 MAPT (0.77) MAPTRAB9AL3MBTL1TDP1CA1
Methylparaben SCHEMBL31086508 0.85 MAPT (0.70) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL1794811 0.84 MAPT (0.74) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL6835771 0.84 MAPT (0.79) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL23986235 0.82 MAPT (0.66) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL28461186 0.82 MAPT (0.66) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL2469151 0.82 MAPT (0.89) MAPTRAB9AL3MBTL1TDP1CA1

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-1086079-B1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA A S (CZ) 2003-05-07 EP disclosed
US-6303612-B1 USED AS ANTIINFLAMMATORY AND/OR ANTIASTHMATIC AGENTS LECIVA, A.S. (CZ) 2001-10-16 US disclosed
EP-1086079-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS Leciva, A.S. (CZ) 2001-03-28 EP disclosed
WO-1999067208-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA, A.S. (CZ) 1999-12-29 WO disclosed