SCHEMBL6595757

SCHEMBL6595757

CC(C)(C)[CH]NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
DGAT1 O75907 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CTSK P43235 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
MIF P14174 1/20 0.36
MAPK1 P28482 1/20 0.36
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
APLNR P35414 1/20 0.35

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
SCHEMBL3452947 0.82 TDP1 (0.40) MAPK10TDP1DGAT1CA1CA2
SCHEMBL12571335 0.80 MAPK10 (0.41) MAPK10TDP1DGAT1CA1CA2
SCHEMBL15096829 0.80 MAPK10 (0.41) MAPK10TDP1DGAT1CA1CA2
SCHEMBL5729371 0.78 CTSK (0.42) MAPK10TDP1DGAT1CA1CA2
SCHEMBL208785 0.78 CTSK (0.42) MAPK10TDP1DGAT1CA1CA2
SCHEMBL4774889 0.76 MAPK10 (0.42) MAPK10TDP1DGAT1CA1CA2
SCHEMBL8317089 0.76 MAPK10 (0.39) MAPK10TDP1DGAT1CA1CA2
SCHEMBL1140993 0.76 MAPK10 (0.39) MAPK10TDP1DGAT1CA1CA2
SCHEMBL166623 0.74 CA1 (0.42) MAPK10TDP1DGAT1CA1CA2
SCHEMBL16938665 0.74 MAPK10 (0.38) MAPK10TDP1DGAT1CA1CA2

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 6 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 disclosed
US-6716865-B1 SUBSTITUTED AT THE 2 POSITION; A SULFAMATE BOUND VIA OXYGEN TO THE PHENYL PART OF THE RING STRUCTURE; SULFAMOYLATION; STEROID SULFATASE INHIBITOR, ACNE NOVARTIS AG (CH) 2004-04-06 US disclosed
EP-1230227-A1 BENZOXA-AND BENZOTHIAZOLYL SULFAMATES AND THEIR USE AS STEROID SULFATASE INHIBITORS Novartis AG (CH) 2002-08-14 EP disclosed
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed
WO-2001036398-A1 BENZOXA- AND BENZTHIAZOLES NOVARTIS AG (CH) 2001-05-25 WO disclosed