SCHEMBL5505091

SCHEMBL5505091

Cc1ccc(C[C@H]2CCN(CCS(=O)(=O)c3ccc(O)cc3)C[C@H]2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 2/20 0.49
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 2/20 0.39
SPHK1 Q9NYA1 4/20 0.39
SPHK2 Q9NRA0 3/20 0.39
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
ESR2 Q92731 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL5974310 1.00 ALDH1A1 (0.49) ALDH1A1MAPK1KMT2AMEN1GAA
SCHEMBL5502026 1.00 ALDH1A1 (0.49) ALDH1A1MAPK1KMT2AMEN1GAA
SCHEMBL5047712 0.89 MMP2 (0.44) ALDH1A1MAPK1KMT2AMEN1GAA
SCHEMBL5505396 0.89 MMP2 (0.44) ALDH1A1MAPK1KMT2AMEN1GAA
SCHEMBL5047717 0.89 MMP2 (0.44) ALDH1A1MAPK1KMT2AMEN1GAA
SCHEMBL7367603 0.83 MAPK1 (0.57) ALDH1A1MAPK1KMT2AMEN1
SCHEMBL5133156 0.77 HTR7 (0.42) ALDH1A1MAPK1KMT2AMEN1GAA
SCHEMBL5133153 0.77 HTR7 (0.42) ALDH1A1MAPK1KMT2AMEN1GAA
SCHEMBL14300258 0.76 GRIN1 (0.41) ALDH1A1MAPK1KMT2AMEN1GAA
SCHEMBL5041992 0.76 GRIN1 (0.41) ALDH1A1MAPK1KMT2AMEN1GAA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1332363-A4 DETECTION OF NEURODEGENERATIVE DISORDERS DOUBLE KAY (AU) 2007-08-29 EP claimed
EP-1189886-B1 ETHANESULFONYL-PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-01-04 EP claimed
US-20050260577-A1 Detection of neurodegenerative disorders POWMRI LIMITED (AU) 2005-11-24 US claimed
EP-1332363-A1 DETECTION OF NEURODEGENERATIVE DISORDERS UNISEARCH LIMITED (AU) 2003-08-06 EP claimed
WO-2002031499-A1 DETECTION OF NEURODEGENERATIVE DISORDERS UNISEARCH LIMITED (AU) 2002-04-18 WO claimed
EP-1189886-A1 ETHANESULFONYL-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-27 EP claimed
US-6310213-B1 GOOD AFFITITY TO THE NMDA RECEPTOR AND THEY ARE THEREFORE USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES HOFFMANN-LA ROCHE INC. 2001-10-30 US claimed
WO-2000075109-A1 ETHANESULFONYL-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-14 WO claimed
EP-1332363-A4 DETECTION OF NEURODEGENERATIVE DISORDERS DOUBLE KAY (AU) 2007-08-29 EP disclosed
EP-1189886-B1 ETHANESULFONYL-PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-01-04 EP disclosed
US-20050260577-A1 Detection of neurodegenerative disorders POWMRI LIMITED (AU) 2005-11-24 US disclosed
EP-1332363-A1 DETECTION OF NEURODEGENERATIVE DISORDERS UNISEARCH LIMITED (AU) 2003-08-06 EP disclosed
WO-2002031499-A1 DETECTION OF NEURODEGENERATIVE DISORDERS UNISEARCH LIMITED (AU) 2002-04-18 WO disclosed
EP-1189886-A1 ETHANESULFONYL-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-27 EP disclosed
US-6310213-B1 GOOD AFFITITY TO THE NMDA RECEPTOR AND THEY ARE THEREFORE USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES HOFFMANN-LA ROCHE INC. 2001-10-30 US disclosed
WO-2000075109-A1 ETHANESULFONYL-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-14 WO disclosed