SCHEMBL9727477

SCHEMBL9727477

COc1ccc(CC2OC(O)=CC2C)c(CCCOc2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.37
HPGD P15428 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
MTNR1A P48039 5/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
APP P05067 1/20 0.35
ESR1 P03372 1/20 0.34
CYP19A1 P11511 1/20 0.34
ESR2 Q92731 1/20 0.34
SLC2A1 P11166 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL10391664 0.70 HPGD (0.51) MTNR1BHPGDDRD2DRD4DRD3
SCHEMBL9727632 0.67 DRD2 (0.39) DRD2DRD4DRD3ESR1CYP19A1
SCHEMBL9854748 0.67 MTNR1A (0.49) MTNR1BHPGDDRD2DRD4DRD3
SCHEMBL14255248 0.64 MEN1 (0.51) MTNR1BHPGDMTNR1ALMNAMAPT
SCHEMBL5287776 0.62 KCNA3 (0.73) HPGDDRD2DRD4DRD3LMNA
SCHEMBL28312915 0.61 DRD2 (0.70) HPGDDRD2DRD4DRD3MAPT
SCHEMBL4337645 0.60 DRD2 (0.69) HPGDDRD2DRD4DRD3LMNA
SCHEMBL5824552 0.60 MAPK1 (0.54) MTNR1BDRD2DRD4DRD3MTNR1A
SCHEMBL10597796 0.59 MAPK1 (0.68) MTNR1BDRD2DRD4DRD3MTNR1A
SCHEMBL9854773 0.59 MTNR1B (0.54) MTNR1BHPGDMTNR1ALMNAMAPT

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-5091533-A Treating allergies, cardiovascular disorders, inflammation MERCK FROSST CANADA, INC. (CA) 1992-02-25 US disclosed