SCHEMBL4746748

SCHEMBL4746748

CCOc1ccccc1N1CCN(c2nc(C(C)C)cc3c2C(=O)OCC3)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 1/20 0.43
NTSR1 P30989 1/20 0.43
HIF1A Q16665 3/20 0.42
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
MEN1 O00255 3/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL4747065 0.84 LIPE (0.40) ALDH1A1HSD17B10NTSR1MAPTSMN1; SMN2
SCHEMBL4749965 0.80 KDM4E (0.43) ALDH1A1HSD17B10MAPK1KMT2AKDM4E
SCHEMBL4749923 0.79 KDM4E (0.44) ALDH1A1HSD17B10MAPTSMN1; SMN2MAPK1
SCHEMBL4746294 0.78 ALDH1A1 (0.43) L3MBTL1ALDH1A1HSD17B10MAPTSMN1; SMN2
SCHEMBL4749360 0.78 ALDH1A1 (0.55) L3MBTL1ALDH1A1HSD17B10MAPK1KMT2A
SCHEMBL4749356 0.76 KDM4E (0.42) ALDH1A1HSD17B10MAPK1KMT2AKDM4E
SCHEMBL4787866 0.75 KDM4E (0.41) ALDH1A1HSD17B10KDM4E
SCHEMBL4747050 0.74 KDM4E (0.52) L3MBTL1ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL4749260 0.71 CCNC (0.38) L3MBTL1ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL4746545 0.69 ME2 (0.44) ALDH1A1MAPTSMN1; SMN2KMT2AKDM4E

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-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
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 disclosed