SCHEMBL4602987

SCHEMBL4602987

COCCOCC(C)C(CNS(=O)(=O)N(Cc1ccccc1)C(=O)O)Oc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.41
TRPM8 Q7Z2W7 9/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
SCN9A Q15858 1/20 0.37

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
SCHEMBL3205285 0.89 PPARG (0.41) PPARGTRPM8LMNAALDH1A1HPGD
SCHEMBL3216016 0.87 TRPM8 (0.42) PPARGTRPM8LMNAALDH1A1HPGD
SCHEMBL3211597 0.84 PPARG (0.41) PPARGTRPM8LMNAALDH1A1HPGD
SCHEMBL4601935 0.83 PPARG (0.50) PPARGTRPM8LMNAALDH1A1HPGD
SCHEMBL3214134 0.82 PPARG (0.41) PPARGTRPM8LMNAALDH1A1HPGD
SCHEMBL4600613 0.80 PPARG (0.47) PPARGLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL4601114 0.80 LMNA (0.47) PPARGLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL3196660 0.80 TRPM8 (0.43) PPARGTRPM8LMNAALDH1A1HPGD
SCHEMBL4603056 0.79 PPARG (0.46) PPARGLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL3206552 0.76 PPARG (0.63) PPARGLMNAALDH1A1HPGDSMN1; SMN2

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-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed