SCHEMBL13316685

SCHEMBL13316685

CNC(=O)N[C@@H](CCOc1ccccc1)COc1cccc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
ALOX5 P09917 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
POLB P06746 1/20 0.44
PPARD Q03181 1/20 0.43

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
SCHEMBL3574069 0.90 SMN1; SMN2 (0.53) SMN1; SMN2DRD2DRD4KDM4EMAPK1
SCHEMBL3576228 0.84 ALDH1A1 (0.43) SMN1; SMN2DRD2DRD4KDM4EMAPK1
SCHEMBL3585190 0.81 SMN1; SMN2 (0.52) SMN1; SMN2DRD2DRD4MAPK1
SCHEMBL13316669 0.81 SMN1; SMN2 (0.45) SMN1; SMN2MAPK1TDP1L3MBTL1POLB
SCHEMBL3577900 0.75 RAB9A (0.47) SMN1; SMN2MAPK1HPGDL3MBTL1
SCHEMBL3566335 0.75 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EMAPK1L3MBTL1POLB
SCHEMBL3581797 0.73 DRD2 (0.55) SMN1; SMN2DRD2DRD4TDP1L3MBTL1
SCHEMBL5686017 0.72 DRD2 (0.72) SMN1; SMN2DRD2DRD4KDM4EMAPK1
SCHEMBL2063136 0.72 DRD2 (0.72) SMN1; SMN2DRD2DRD4KDM4EMAPK1
SCHEMBL3580415 0.71 KMT2A (0.52) SMN1; SMN2KDM4EMAPK1HPGD

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
US-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed