SCHEMBL4749965

SCHEMBL4749965

CC(C)c1cc2c(c(N3CCN(C)CC3)n1)C(=O)OCC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DRD2 P14416 1/20 0.37
HTR6 P50406 1/20 0.37
HRH4 Q9H3N8 7/20 0.35
HRH1 P35367 1/20 0.35
HTR3A P46098 3/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 2/20 0.33
ALOX15 P16050 1/20 0.33
ELANE P08246 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR3B O95264 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33

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
SCHEMBL4749923 0.91 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL4749360 0.90 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL4746294 0.90 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL4787866 0.89 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4749356 0.88 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL4747065 0.85 LIPE (0.40) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL4074550 0.83 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10DRD2
SCHEMBL4746748 0.80 L3MBTL1 (0.44) KDM4EALDH1A1HSD17B10DRD2MAPK1
SCHEMBL4787804 0.78 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL4746545 0.78 ME2 (0.44) KDM4EALDH1A1HPGDPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO claimed