SCHEMBL7301957

SCHEMBL7301957

CCOC(=O)Oc1cc2c(c(OCc3ccccc3)c1)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.47
MAOA P21397 1/20 0.47
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
GRM5 P41594 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
HIF1A Q16665 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
MAPK1 P28482 2/20 0.39
OPRM1 P35372 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
SCHEMBL6044463 0.83 HSD17B10 (0.46) MAOBMAOANPC1HPGDRAB9A
SCHEMBL16000138 0.81 MAOB (0.51) MAOBMAOAALDH1A1NPC1HPGD
SCHEMBL7312575 0.80 KMT2A (0.45) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL20171129 0.76 HPGD (0.54) MAOBMAOAALDH1A1NPC1HPGD
SCHEMBL11011195 0.75 SMPD1 (0.54) NPC1HPGDRAB9ASMN1; SMN2LMNA
SCHEMBL6044447 0.74 MAOB (0.50) MAOBMAOAALDH1A1NPC1HPGD
SCHEMBL22882767 0.73 KMT2A (0.46) MAOBMAOAALDH1A1NPC1HPGD
SCHEMBL11123825 0.72 KDM4E (0.44) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL6044542 0.72 MAOB (0.50) MAOBMAOAALDH1A1NPC1HPGD
SCHEMBL4909097 0.71 HSD17B10 (0.45) MAOBMAOAALDH1A1NPC1HPGD

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
EP-0678503-B1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities NOVARTIS AG (CH) 1999-09-01 EP disclosed
EP-0678503-A1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities CIBA-GEIGY AG (CH) 1995-10-25 EP disclosed