SCHEMBL4601009

SCHEMBL4601009

O=C(O)CCc1ccc(O)cc1Oc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
PPARG P37231 11/20 0.54
RAB9A P51151 1/20 0.53
FFAR1 O14842 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
HPGD P15428 1/20 0.47
LIPE Q05469 1/20 0.46

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
SCHEMBL3204740 0.88 PPARG (0.53) SMN1; SMN2PPARGRAB9ALMNA
SCHEMBL3205204 0.86 PPARG (0.72) SMN1; SMN2PPARGFFAR1LMNA
SCHEMBL3212927 0.86 RAB9A (0.56) SMN1; SMN2PPARGRAB9ALMNACYP1A2
SCHEMBL3217520 0.84 PPARG (0.73) SMN1; SMN2PPARGLMNA
SCHEMBL3206453 0.83 PPARG (0.71) SMN1; SMN2PPARGLMNAHPGD
SCHEMBL3213488 0.83 RAB9A (0.58) SMN1; SMN2PPARGRAB9AFFAR1LMNA
SCHEMBL3206768 0.81 PPARG (0.72) SMN1; SMN2PPARGFFAR1LMNALIPE
SCHEMBL5106920 0.81 SMN1; SMN2 (0.48) SMN1; SMN2PPARGRAB9AFFAR1LMNA
SCHEMBL4601900 0.80 PPARG (0.60) SMN1; SMN2PPARGFFAR1
SCHEMBL3207082 0.79 PPARG (0.72) SMN1; SMN2PPARG

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