SCHEMBL4563434

SCHEMBL4563434

CC(C)(C)OC(=O)[C@H](Cc1ccc(OC(=O)N2CCOCC2)cc1)N(C(=O)C1NCC(=O)SC1=O)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.36
RAB9A P51151 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
NPY2R P49146 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
BMP1 P13497 1/20 0.32
MMP13 P45452 1/20 0.31
HPGD P15428 1/20 0.31

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 0.94 CYP1A2 (0.41) P2RX7RAB9AGAAALDH1A1NPY2R
SCHEMBL4562546 0.85 CYP2C9 (0.43) RAB9AITGB1ITGA4ITGB7GAA
SCHEMBL3872421 0.81 P2RX7 (0.36) P2RX7RAB9AITGB1ITGAVITGA4
SCHEMBL7579993 0.80 P2RX7 (0.32) P2RX7
SCHEMBL4564688 0.80 BMP1 (0.30) BMP1
SCHEMBL8059939 0.79
SCHEMBL4563287 0.78 RORC (0.32)
SCHEMBL3869878 0.75 CYP1A2 (0.41) P2RX7RAB9AGAAALDH1A1NPY2R
SCHEMBL3870610 0.75 P2RX7 (0.37) P2RX7ITGB1ITGAVITGA4ITGB7
SCHEMBL4563523 0.74

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 3 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-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