SCHEMBL4602750

SCHEMBL4602750

COCCOc1ccc(CC(C)(C)[C]=O)c(Oc2ncc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.61
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL4602753 0.87 PPARG (0.64) PPARGLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL3215488 0.86 PPARG (0.69) PPARGLMNASMN1; SMN2
SCHEMBL3205117 0.85 PPARG (0.69) PPARGLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL3221791 0.85 PPARG (0.65) PPARGLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL3215799 0.84 PPARG (0.64) PPARGLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL3219568 0.84 PPARG (0.62) PPARGLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL3196887 0.83 PPARG (0.70) PPARGLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL3206523 0.82 PPARG (0.65) PPARGLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL3217520 0.81 PPARG (0.73) PPARGLMNASMN1; SMN2
SCHEMBL3214049 0.81 PPARG (0.69) 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