SCHEMBL11993047

SCHEMBL11993047

CCc1cc(O[C@@H](CCSc2cc(C)ccc2C)C(=O)O)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
PPARG P37231 13/20 0.40
PPARA Q07869 13/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL3972487 1.00 SMN1; SMN2 (0.43) SMN1; SMN2PPARGPPARAKDM4EALDH1A1
SCHEMBL3971122 0.90 PPARG (0.48) SMN1; SMN2PPARGPPARAL3MBTL1LMNA
SCHEMBL11993106 0.88 PPARG (0.46) SMN1; SMN2PPARGPPARAKDM4EALDH1A1
SCHEMBL3972373 0.83 PPARG (0.46) SMN1; SMN2PPARGPPARAALDH1A1L3MBTL1
SCHEMBL3972769 0.80 PPARG (0.48) SMN1; SMN2PPARGPPARA
SCHEMBL3973137 0.80 SMN1; SMN2 (0.41) SMN1; SMN2PPARGPPARAALDH1A1L3MBTL1
SCHEMBL3972905 0.78 PPARG (0.54) PPARGPPARA
SCHEMBL3972082 0.76 PTGDR2 (0.40) PPARGPPARAALDH1A1L3MBTL1LMNA
SCHEMBL3979354 0.74 PPARG (0.46) SMN1; SMN2PPARGPPARAL3MBTL1LMNA
SCHEMBL6903473 0.73 PPARG (0.44) SMN1; SMN2PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412326-B1 BUTYRIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2012-08-22 EP disclosed
US-7491747-B2 4-(Arylthio)- or (4-heteroarylthio)butyric acid derivatives that may be used in the treatment of dyslipidaemia, atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2009-02-17 US disclosed
US-7491747-B2 4-(Arylthio)- or (4-heteroarylthio)butyric acid derivatives that may be used in the treatment of dyslipidaemia, atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2009-02-17 US disclosed