SCHEMBL4562546

SCHEMBL4562546

Cc1ccc(S(=O)(=O)N(C(=O)C2NCC(=O)SC2=O)[C@@H](Cc2ccc(OC(=O)N3CCOCC3)cc2)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.38
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 2/20 0.35
NPY2R P49146 2/20 0.35
GAA P10253 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
KMT2A Q03164 4/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
MEN1 O00255 2/20 0.34

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
SCHEMBL4564375 0.91 CYP1A2 (0.41) CYP2C9CYP1A2CYP2C19L3MBTL1ALOX5
SCHEMBL4563644 0.86 PTGES (0.35) ALOX5ALDH1A1KMT2AITGB1ITGA4
SCHEMBL4563434 0.85 P2RX7 (0.36) CYP2C9CYP1A2CYP2C19L3MBTL1ALDH1A1
SCHEMBL3868793 0.80 CYP2C9 (0.43) CYP2C9CYP1A2CYP2C19L3MBTL1ALOX5
SCHEMBL3848654 0.77 NPY2R (0.35) CYP2C9CYP1A2CYP2C19L3MBTL1ALDH1A1
SCHEMBL7579993 0.77 P2RX7 (0.32)
SCHEMBL3852314 0.76 ITGB1 (0.39) CYP2C9CYP1A2CYP2C19L3MBTL1ALDH1A1
SCHEMBL5655126 0.75 CYP2C9 (0.39) CYP2C9CYP1A2CYP2C19L3MBTL1ALOX5
SCHEMBL5608483 0.75 NPY2R (0.37) CYP2C9CYP1A2CYP2C19L3MBTL1ALDH1A1
SCHEMBL3848898 0.73 ITGB1 (0.38) CYP2C9CYP1A2CYP2C19L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592387-A4 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARM INC (US) 2009-05-06 EP disclosed
EP-1592386-A4 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARM INC (US) 2007-06-13 EP disclosed
EP-1592386-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS Elan Pharmaceuticals, Inc. (US) 2005-11-09 EP disclosed
EP-1592387-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS Elan Pharmaceuticals, Inc. (US) 2005-11-09 EP disclosed
WO-2004066932-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARMACEUTICALS INC. (US) 2004-08-12 WO disclosed
WO-2004066931-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARMACEUTICALS INC. (US) 2004-08-12 WO disclosed