SCHEMBL3704113

SCHEMBL3704113

CCCC(CCc1ccc(Sc2cc(C(F)(F)F)ccc2OCOC)cc1Cl)(CCP(=O)(O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.30

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
SCHEMBL3704110 1.00 PPARG (0.31) PPARGHTR2ASLC6A4KCNH2MRGPRX4
SCHEMBL2129305 0.94 PPARG (0.31) PPARGHTR2ASLC6A4KCNH2
SCHEMBL2129307 0.91 MRGPRX4 (0.31) PPARGMRGPRX4
SCHEMBL2131502 0.91 PTGDR2 (0.33) PPARGMRGPRX4
SCHEMBL2131508 0.91 PTGDR2 (0.33) PPARGMRGPRX4
SCHEMBL3695441 0.90 AAK1 (0.33) HTR2ASLC6A4KCNH2MRGPRX4
SCHEMBL15284251 0.90 S1PR1 (0.31)
SCHEMBL15284247 0.90 S1PR1 (0.31)
SCHEMBL2130022 0.85 PTGDR2 (0.33) PPARGMRGPRX4
SCHEMBL2130031 0.85 PTGDR2 (0.33) PPARGMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2452944-B1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING THEM AS ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2014-09-10 EP disclosed
EP-2452944-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP disclosed