SCHEMBL6595412

SCHEMBL6595412

[CH]=C1CCC2(CC1)OCC(C)(C)CO2

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.30

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
SCHEMBL6595416 0.79
SCHEMBL657653 0.79 HSD11B1 (0.35) HSD11B1
SCHEMBL19218042 0.79 HSD11B1 (0.34) HSD11B1
SCHEMBL6594728 0.74 POLB (0.31)
SCHEMBL21061213 0.74 POLB (0.38)
SCHEMBL3505529 0.72 POLB (0.36)
SCHEMBL931745 0.71 POLB (0.38) HSD11B1
SCHEMBL445289 0.68 HSD11B1 (0.31) HSD11B1
SCHEMBL9395185 0.68
SCHEMBL16770070 0.67 KDM4E (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230227-B1 BENZOXA-AND BENZOTHIAZOLYL SULFAMATES AND THEIR USE AS STEROID SULFATASE INHIBITORS NOVARTIS AG (CH) 2004-06-23 EP claimed
EP-1230227-B1 BENZOXA-AND BENZOTHIAZOLYL SULFAMATES AND THEIR USE AS STEROID SULFATASE INHIBITORS NOVARTIS AG (CH) 2004-06-23 EP disclosed
EP-1230227-A1 BENZOXA-AND BENZOTHIAZOLYL SULFAMATES AND THEIR USE AS STEROID SULFATASE INHIBITORS Novartis AG (CH) 2002-08-14 EP disclosed
WO-2001036398-A1 BENZOXA- AND BENZTHIAZOLES NOVARTIS AG (CH) 2001-05-25 WO disclosed