SCHEMBL4601630

SCHEMBL4601630

[CH2]CC(CCCC)c1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.56
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL4665185 0.83 PPARG (0.56) PPARGLMNASMN1; SMN2
SCHEMBL3209515 0.80 PPARG (0.53) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4601627 0.80 PPARG (0.53) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL3219568 0.79 PPARG (0.62) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL3209357 0.79 PPARG (0.56) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4666566 0.78 PPARG (0.55) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL3220198 0.78 PPARG (0.55) PPARGALDH1A1LMNA
SCHEMBL3208192 0.78 PPARG (0.75) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL3206523 0.78 PPARG (0.65) PPARGALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL3202753 0.77 PPARG (0.58) PPARGALDH1A1LMNAHPGDSMN1; 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