SCHEMBL4970540

SCHEMBL4970540

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
CHRM2 P08172 4/20 0.39
CHRM4 P08173 4/20 0.39
CHRM5 P08912 4/20 0.39
CHRM1 P11229 4/20 0.39
CHRM3 P20309 4/20 0.39
SPHK2 Q9NRA0 1/20 0.39
CTSB P07858 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CTSL P07711 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38

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 0.88 PPARG (0.41) SPHK1PPARGPPARDPPARACHRM2
SCHEMBL5048708 0.88 PPARG (0.41) SPHK1PPARGPPARDPPARACHRM2
SCHEMBL6715546 0.85 PPARG (0.48) SPHK1PPARGPPARDPPARA
SCHEMBL4965844 0.81 SPHK1 (0.42) SPHK1PPARGPPARDPPARACHRM2
SCHEMBL5039579 0.81 PPARG (0.41) SPHK1PPARGPPARDPPARACHRM2
SCHEMBL5045607 0.81 NPC1 (0.41) SPHK1PPARGPPARDPPARACHRM2
SCHEMBL1854050 0.78 PPARG (0.39) SPHK1PPARGPPARDPPARACHRM2
SCHEMBL6717446 0.77 PPARG (0.46) SPHK1PPARGPPARDPPARACHRM2
SCHEMBL6717440 0.77 PPARG (0.46) SPHK1PPARGPPARDPPARACHRM2
SCHEMBL5047608 0.77 KDM4E (0.39) SPHK1PPARGPPARDPPARACHRM2

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-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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed