SCHEMBL9017312

SCHEMBL9017312

CCCc1ccc(S(=O)(=O)OC2CCc3c(cccc3OC)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.50
DRD3 P35462 8/20 0.50
DRD4 P21917 6/20 0.50
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ACHE P22303 1/20 0.45
CYP19A1 P11511 1/20 0.43

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
SCHEMBL10043010 0.78 DRD2 (0.57) DRD2DRD3DRD4CHRM2CHRM1
SCHEMBL3318329 0.78 DRD2 (0.57) DRD2DRD3DRD4CHRM2CHRM1
SCHEMBL7776659 0.71 CHRM2 (0.58) DRD2DRD3DRD4CHRM2CHRM1
SCHEMBL9017272 0.69 DRD2 (0.58) DRD2DRD3DRD4CHRM2CHRM1
SCHEMBL8483378 0.68 MTNR1A (0.62) DRD2DRD3DRD4CHRM2CHRM1
SCHEMBL8483383 0.68 MTNR1A (0.62) DRD2DRD3DRD4CHRM2CHRM1
SCHEMBL29062558 0.68 CYP19A1 (0.62) DRD2DRD3DRD4CHRM2CHRM1
SCHEMBL10644420 0.67 DRD2 (0.82) DRD2DRD3DRD4
SCHEMBL21798816 0.67 DRD2 (0.77) DRD2DRD3DRD4
SCHEMBL5985767 0.67 CA2 (0.43) CA2

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-0749424-A1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 EP disclosed