SCHEMBL6644445

SCHEMBL6644445

CC(C)(C)OC(=O)NC1Cc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.52
HTR1D P28221 1/20 0.52
DRD3 P35462 1/20 0.52
EPHX2 P34913 1/20 0.44
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA12 O43570 3/20 0.42
CA7 P43166 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA9 Q16790 2/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
KDM1A O60341 2/20 0.40
MAOB P27338 1/20 0.40
APOB P04114 2/20 0.39
MTTP P55157 2/20 0.39
BTK Q06187 1/20 0.39
NR1H2 P55055 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL353332 0.91 DRD2 (0.62) DRD2HTR1DDRD3EPHX2CA1
SCHEMBL7543112 0.91 DRD2 (0.62) DRD2HTR1DDRD3EPHX2CA1
SCHEMBL9134353 0.91 DRD2 (0.62) DRD2HTR1DDRD3EPHX2CA1
SCHEMBL6053198 0.86 DRD2 (0.46) DRD2HTR1DDRD3MTNR1AMTNR1B
SCHEMBL7275241 0.84 EPHX2 (0.47) EPHX2CA1CA2CA12CA7
SCHEMBL6642143 0.81 EPHX2 (0.51) EPHX2KDM1AMAOBBTKNR1H2
SCHEMBL4843025 0.81 EPHX2 (0.47) EPHX2CA1CA2CA12CA7
SCHEMBL4853024 0.81 ALOX15 (0.49) EPHX2MTNR1AMTNR1BKMT2AL3MBTL1
SCHEMBL20811270 0.80 APOB (0.53) EPHX2APOBMTTPNR1H2
SCHEMBL29453085 0.80 APOB (0.53) EPHX2APOBMTTPNR1H2

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
EP-1018514-B1 NF-$g(k)B INHIBITORS CONTAINING INDAN DERIVATIVES AS THE ACTIVE INGREDIENT DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-05-12 EP disclosed
US-6734180-B1 NF-κB inhibitor comprising an indan derivative as an active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-05-11 US disclosed
US-6703421-B1 ADMINISTERING NF-KAPPA B INHIBITOR DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-03-09 US disclosed
EP-1132093-A1 PREVENTIVES OR REMEDIES FOR MYOCARDITIS, DILATED CARDIOMYOPATHY AND CARDIAC INSUFFICIENCY CONTAINING NF-KAPPA B INHIBITORS AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2001-09-12 EP disclosed
EP-1018514-A1 NF-$g(k)B INHIBITORS CONTAINING INDAN DERIVATIVES AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2000-07-12 EP disclosed