SCHEMBL6166995

SCHEMBL6166995

COc1ccc(CN2CCCC2=O)cc1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ACHE P22303 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ACACB O00763 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
POLB P06746 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
CDC7 O00311 1/20 0.41
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
MAPK13 O15264 1/20 0.41
PDPK1 O15530 1/20 0.41
DYRK3 O43781 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 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
SCHEMBL31167233 0.90 KMT2A (0.50) KMT2AMEN1ACHEL3MBTL1ACACB
SCHEMBL23310509 0.85 KMT2A (0.58) KMT2AMEN1L3MBTL1ACACBSMN1; SMN2
SCHEMBL3788597 0.83 HTT (0.56) KMT2AMEN1L3MBTL1ACACBHRH3
SCHEMBL27952027 0.82 MAOB (0.53) KMT2AMEN1L3MBTL1ACACBHRH3
SCHEMBL27952072 0.82 GAA (0.50) KMT2AMEN1ACHEL3MBTL1ACACB
SCHEMBL3786400 0.80 L3MBTL1 (0.53) KMT2AMEN1ACHEL3MBTL1SMN1; SMN2
SCHEMBL2016911 0.79 L3MBTL1 (0.55) KMT2AMEN1ACHEL3MBTL1HRH3
SCHEMBL16485862 0.79 L3MBTL1 (0.51) KMT2AMEN1ACHEL3MBTL1ACACB
SCHEMBL31166947 0.79 HDAC6 (0.51) KMT2AMEN1L3MBTL1ACACBSMN1; SMN2
SCHEMBL28159795 0.79 ADRA1D (0.49) KMT2AMEN1SMN1; SMN2ADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558602-A2 2-PYRROLIDONES AS EP4 RECEPTOR AGONISTS MERCK FROSST CANADA INC. (CA) 2005-08-03 EP disclosed
EP-1513589-A1 1,5-DISUBSTITUTED PYRROLID-2-ONE DERIVATIVES FOR USE AS EP4 RECEPTOR AGONISTS IN THE TREATMENT OF EYE DISEASES SUCH AS GLAUCOMA MERCK FROSST CANADA INC. (CA) 2005-03-16 EP disclosed
WO-2004037786-A2 2-PYRROLIDONES AS EP4 RECEPTOR AGONISTS MERCK FROSST CANADA & CO. (CA) 2004-05-06 WO disclosed
WO-2003103772-A1 1,5-DISTRIBUTED PYRROLID-2-ONE DERIVATIVES FOR USE AS EP4 RECEPTOR AGONISTS IN THE TEATMENT OF EYE DISEASES SUCH AS GLAUCOMA MERCK FROSST CANADA & CO. (CA) 2003-12-18 WO disclosed