SCHEMBL8348394

SCHEMBL8348394

Oc1ccc2c(c1)C(O)CC2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP11B1 P15538 1/20 0.49
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
OPRK1 P41145 1/20 0.47
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL6409578 0.88 ESR1 (0.47) ESR1ESR2MAOAMAOBCYP19A1
SCHEMBL1520909 0.86 ESR1 (0.50) ESR1ESR2MAOAMAOBCYP19A1
SCHEMBL7442811 0.83 ESR2 (0.54) ESR1ESR2CYP19A1DRD2DRD3
SCHEMBL9276752 0.78 HTR2A (0.46) DRD2OPRK1
SCHEMBL3638981 0.78 HTR2A (0.46) DRD2OPRK1
SCHEMBL25015456 0.78 ESR1 (0.53) ESR1ESR2MAOAMAOBCYP19A1
SCHEMBL836185 0.78 UGT2B17 (0.46) DRD2CYP2D6SLC6A4
SCHEMBL17571270 0.78 UGT2B17 (0.46) DRD2CYP2D6SLC6A4
SCHEMBL22547852 0.78 CHRM4 (0.40) ESR1ESR2MAOAMAOBCYP19A1
SCHEMBL1372731 0.78 DRD2 (0.55) ESR1ESR2MAOAMAOBCYP19A1

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
CN-104903363-B Monomer, liquid-crystal composition, the manufacture method of liquid crystal display device and liquid crystal display device 夏普株式会社 2018-05-04 CN disclosed
US-5952326-A Tetralin and chroman derivatives useful in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1999-09-14 US disclosed
US-5698550-A Tetralin and chroman derivatives useful in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1997-12-16 US disclosed
EP-0441515-B1 Tetralin and chroman derivatives in the treatment of asthma, arthritis and related diseases PFIZER (US) 1995-10-04 EP disclosed
EP-0441515-A1 Tetralin and chroman derivatives in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1991-08-14 EP disclosed