SCHEMBL11566951

SCHEMBL11566951

C=CCOC(=O)C1CC(=O)c2ccccc2O1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.43
ADORA3 P0DMS8 3/20 0.43
AR P10275 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP19A1 P11511 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 4/20 0.42
CYP3A4 P08684 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HSD11B1 P28845 1/20 0.42
AKR1C3 P42330 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
AXL P30530 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL3356400 0.83 ALDH1A1 (0.53) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL7767263 0.83 ALDH1A1 (0.53) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL7764064 0.83 ALDH1A1 (0.53) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL22617489 0.81 MAOB (0.53) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL22617255 0.81 MAOB (0.53) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL7576590 0.79 GAA (0.59) KDM4EHSD17B10MAPTNPC1RAB9A
SCHEMBL24496711 0.78 MAOB (0.51) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL3399029 0.78 MAOB (0.51) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL29586863 0.78 MAOB (0.51) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL23662191 0.78 MAOB (0.51) MAOBADORA3ARKDM4ECYP19A1

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-4178380-A LIPOGENSIS INHIBITORS SHELL OIL COMPANY (US) 1979-12-11 US disclosed