SCHEMBL9338261

SCHEMBL9338261

CCc1ccc(C(=O)C=Cc2ccc(C)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.77
MAOB P27338 8/20 0.69
MAOA P21397 6/20 0.69
POLB P06746 1/20 0.69
RAB9A P51151 1/20 0.69
ALDH1A1 P00352 3/20 0.66
CYP1B1 Q16678 2/20 0.66
HPGD P15428 2/20 0.66
CYP3A4 P08684 1/20 0.66
LMNA P02545 3/20 0.64
CYP1A1 P04798 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
PKM P14618 2/20 0.56
HTT P42858 2/20 0.56
ATM Q13315 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
NLRP1 Q9C000 1/20 0.56
MEN1 O00255 1/20 0.56
NTSR1 P30989 1/20 0.56

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
SCHEMBL28727204 1.00 MAPT (0.77) MAPTMAOBMAOAPOLBRAB9A
SCHEMBL9561400 1.00 MAPT (0.77) MAPTMAOBMAOAPOLBRAB9A
SCHEMBL11994844 0.93 MAOB (0.77) MAPTMAOBMAOAPOLBRAB9A
SCHEMBL28850948 0.93 MAOB (0.77) MAPTMAOBMAOAPOLBRAB9A
SCHEMBL23082622 0.89 MAOB (0.71) MAPTMAOBMAOAPOLBRAB9A
4,4'-Dimethylchalcone SCHEMBL979560 0.88 MAPT (1.00) MAPTMAOBMAOAPOLBRAB9A
4,4'-Dimethylchalcone SCHEMBL979559 0.88 MAPT (1.00) MAPTMAOBMAOAPOLBRAB9A
SCHEMBL8965047 0.87 F3 (0.74) MAPTMAOBMAOAPOLBRAB9A
SCHEMBL15631515 0.87 MAPT (0.77) MAPTMAOBMAOAPOLBRAB9A
SCHEMBL8965046 0.87 F3 (0.74) MAPTMAOBMAOAPOLBRAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5257179-A None JP disclosed
EP-0328668-B1 NONLINEAR OPTICAL MATERIAL NIPPON OILS & FATS CO LTD (JP) 1994-05-25 EP disclosed
JP-H05257179-A ORGANIC NONLINEAR OPTICAL MATERIAL MITSUBISHI KASEI CORP 1993-10-08 JP disclosed
US-5045239-A Chalcone derivative NIPPON OIL AND FATS CO., LTD. (JP) 1991-09-03 US disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 EP disclosed