SCHEMBL4965844

SCHEMBL4965844

CCCCCCCCCCCc1noc(-c2ccc(C(NC(=O)C(=O)O)C(c3ccc(C(F)(F)F)cc3)C3CCCC3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.42
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
SPHK2 Q9NRA0 4/20 0.38
CHRM2 P08172 4/20 0.37
CHRM4 P08173 4/20 0.37
CHRM5 P08912 4/20 0.37
CHRM1 P11229 4/20 0.37
CHRM3 P20309 4/20 0.37
TRPV1 Q8NER1 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL5039728 0.86 PPARG (0.41) SPHK1PPARGPPARDPPARASPHK2
SCHEMBL5048708 0.86 PPARG (0.41) SPHK1PPARGPPARDPPARASPHK2
SCHEMBL4970540 0.81 SPHK1 (0.41) SPHK1PPARGPPARDPPARASPHK2
SCHEMBL6715546 0.81 PPARG (0.48) SPHK1PPARGPPARDPPARA
SCHEMBL1854907 0.79 SPHK1 (0.40) SPHK1PPARGPPARDPPARASPHK2
SCHEMBL6023854 0.79 SPHK1 (0.43) SPHK1PPARGPPARDPPARASPHK2
SCHEMBL1856741 0.79 SPHK1 (0.43) SPHK1PPARGPPARDPPARASPHK2
SCHEMBL1854646 0.78 SPHK1 (0.47) SPHK1PPARGPPARDPPARASPHK2
SCHEMBL5045135 0.77 SPHK1 (0.40) SPHK1PPARGPPARDPPARASPHK2
SCHEMBL6022302 0.77 ENPP2 (0.47)

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-1904048-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP claimed
WO-2007009959-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO claimed
EP-1904048-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP disclosed
WO-2007009959-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO disclosed