SCHEMBL7352199

SCHEMBL7352199

COc1ccc(CSCC(C)(C)C(C)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
PKM P14618 1/20 0.48
GAA P10253 1/20 0.46
IDO1 P14902 2/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
ACE P12821 1/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
EPHX2 P34913 1/20 0.43
RAB9A P51151 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.42
LDHA P00338 1/20 0.42
DAO P14920 1/20 0.42
EPHX1 P07099 1/20 0.42

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
SCHEMBL9166221 0.88 PPARA (0.50) SMN1; SMN2ALDH1A1PKMGAAIDO1
SCHEMBL20269317 0.78 SMN1; SMN2 (0.49) SMN1; SMN2IDO1KMT2AMEN1NPC1
SCHEMBL7334996 0.77 GAA (0.57) SMN1; SMN2ALDH1A1PKMGAAIDO1
SCHEMBL6085105 0.76 GAA (0.53) SMN1; SMN2ALDH1A1PKMGAAIDO1
SCHEMBL62037 0.75 IDO1 (0.59) SMN1; SMN2ALDH1A1GAAIDO1
SCHEMBL19403370 0.75 PPARG (0.56) SMN1; SMN2ALDH1A1PKMGAAIDO1
SCHEMBL14535477 0.75 KMT2A (0.43) SMN1; SMN2ALDH1A1PKMGAAIDO1
SCHEMBL7355822 0.74 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1PKMGAAIDO1
SCHEMBL11490960 0.74 IDO1 (0.47) SMN1; SMN2ALDH1A1GAAIDO1
SCHEMBL14432223 0.74 IDO1 (0.44) SMN1; SMN2ALDH1A1GAAIDO1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037878-A2 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-09-27 EP claimed
WO-1999026927-A2 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 1999-06-03 WO claimed
EP-2672971-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE Pharmalundensis AB (SE) 2013-12-18 EP disclosed
WO-2012108831-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE REDECO CHEM AB (SE) 2012-08-16 WO disclosed
EP-1037878-A2 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-09-27 EP disclosed
WO-1999026927-A2 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed