SCHEMBL4010773

SCHEMBL4010773

Cc1ccc(B(O)O)cc1S(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.52
CA2 P00918 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CA1 P00915 1/20 0.35
LMNA P02545 1/20 0.34
SLC9A1 P19634 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
TTR P02766 1/20 0.32

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
SCHEMBL23852735 0.85 L3MBTL1 (0.53) ENPP2CA2L3MBTL1LPLLIPG
SCHEMBL19214301 0.79 ENPP2 (0.50) ENPP2CA2LPLLIPGCA1
SCHEMBL20093239 0.79 ENPP2 (0.50) ENPP2CA2L3MBTL1LPLLIPG
SCHEMBL2553161 0.77 ENPP2 (0.47) ENPP2CA2LPLLIPGCA1
SCHEMBL20399722 0.76 ENPP2 (0.50) ENPP2L3MBTL1LMNATTR
SCHEMBL520332 0.76 ENPP2 (0.50) ENPP2CA2L3MBTL1LPLLIPG
SCHEMBL30311154 0.73 ENPP2 (0.47) ENPP2CA2L3MBTL1ALDH1A1LMNA
SCHEMBL25301879 0.73 ENPP2 (0.47) ENPP2CA2CA1GAA
SCHEMBL23884760 0.73 ENPP2 (0.47) ENPP2CA2L3MBTL1ALDH1A1LMNA
SCHEMBL29613207 0.73 NPC1 (0.44) ENPP2ALDH1A1

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-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed