SCHEMBL4553121

SCHEMBL4553121

COc1cccc(C#N)c1Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
AR P10275 6/20 0.52
RAF1 P04049 2/20 0.46
MAP2K1 Q02750 2/20 0.46
MAPT P10636 1/20 0.46
IMPDH2 P12268 1/20 0.45
IMPDH1 P20839 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
LTA4H P09960 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL338999 0.82 POLB (0.50) POLBGAAARIMPDH2IMPDH1
SCHEMBL30934831 0.82 POLB (0.50) POLBGAAARIMPDH2IMPDH1
SCHEMBL11208196 0.82 MAPK1 (0.58) ARALDH1A1MAPK1HTTL3MBTL1
SCHEMBL8975491 0.81 IMPDH2 (0.50) POLBGAAARRAF1MAP2K1
SCHEMBL4085854 0.79 TSHR (0.53) POLBGAAARMAP2K1MAPT
Anisole SCHEMBL28131523 0.79 POLB (0.71) POLBGAAARMAPTIMPDH2
SCHEMBL19820790 0.78 POLB (0.63) POLBGAAARIMPDH2IMPDH1
SCHEMBL30441601 0.76 GAA (0.72) POLBGAAARMAPTALDH1A1
SCHEMBL1162713 0.76 GAA (0.72) POLBGAAARMAPTALDH1A1
SCHEMBL12100932 0.76 HTR1A (0.44) POLBGAAARMAPTALDH1A1

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-2129668-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS Janssen Pharmaceutica N.V. (BE) 2009-12-09 EP disclosed
WO-2008109727-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO disclosed