SCHEMBL8765745

SCHEMBL8765745

CC(CCl)COc1ccc([O])cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
AR P10275 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SCN4A P35499 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
MAOA P21397 1/20 0.34
PTGS1 P23219 1/20 0.34
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL5661525 0.82 SIGMAR1 (0.53) SIGMAR1SCN4A
SCHEMBL5663771 0.82 SIGMAR1 (0.53) SIGMAR1SCN4A
SCHEMBL5662052 0.81 TSHR (0.40) SIGMAR1MAPT
SCHEMBL8765752 0.81 SLC6A2 (0.51) ARLMNAPTGS1
SCHEMBL9721664 0.81 TSHR (0.40) SIGMAR1MAPT
SCHEMBL5664562 0.81 TSHR (0.40) SIGMAR1MAPT
SCHEMBL4400577 0.79 MAPT (0.47) LMNAPOLBMAPTNPSR1
SCHEMBL3030980 0.78 AR (0.35) ARLMNAPOLBMAPTNPSR1
SCHEMBL1714720 0.78 ALDH1A1 (0.51) MAPTHRH3
SCHEMBL5259492 0.77 MAOA (0.38) FFAR1SIGMAR1ARLMNANPSR1

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
EP-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed