SCHEMBL4758080

SCHEMBL4758080

CCOC(=O)[C@H](C#N)Cc1ccc(OCCN2CC3[C@@H](C2)[C@@H]3NCc2ccc(Cl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.41
PPARA Q07869 7/20 0.41
DRD3 P35462 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL4757429 0.90 PPARG (0.42) PPARGPPARADRD3MEN1ALDH1A1
SCHEMBL14311469 0.90 PPARG (0.42) PPARGPPARADRD3MEN1ALDH1A1
SCHEMBL4756319 0.87 S1PR1 (0.39) PPARGPPARAMEN1ALDH1A1KMT2A
SCHEMBL4758639 0.87 S1PR1 (0.39) PPARGPPARAMEN1ALDH1A1KMT2A
SCHEMBL4789667 0.85 LTA4H (0.43) PPARGPPARAMEN1ALDH1A1KMT2A
SCHEMBL4789672 0.85 LTA4H (0.43) PPARGPPARAMEN1ALDH1A1KMT2A
SCHEMBL4755483 0.81 PPARG (0.42) PPARGPPARADRD3MEN1ALDH1A1
SCHEMBL4756314 0.80 S1PR5 (0.41) PPARGPPARAALDH1A1HRH2HRH1
SCHEMBL4755480 0.78 TEAD1 (0.38) PPARGPPARAALDH1A1EPHX2HRH3
SCHEMBL4758435 0.78 TEAD1 (0.48) PPARGPPARAALDH1A1HDAC3HDAC4

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
WO-2008010238-A2 ANTIDIABETIC AZABICYCLO [3. 1. 0] HEXAN COMPOUNDS LUPIN LIMITED (IN) 2008-01-24 WO claimed
WO-2008010238-A2 ANTIDIABETIC AZABICYCLO [3. 1. 0] HEXAN COMPOUNDS LUPIN LIMITED (IN) 2008-01-24 WO disclosed