SCHEMBL6594728

SCHEMBL6594728

[CH]=C1CCC2(CC1)OCCO2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ESR2 Q92731 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL2650564 0.77 POLB (0.31) POLBKDM4ELMNATP53HTT
SCHEMBL46361 0.74 KMT2A (0.34) POLBKDM4ELMNATP53L3MBTL1
SCHEMBL3460063 0.74
SCHEMBL6595412 0.74 HSD11B1 (0.30)
SCHEMBL2236435 0.73
SCHEMBL1809810 0.73 L3MBTL1 (0.32) POLBKDM4ELMNATP53HTT
SCHEMBL17147797 0.72 KDM4E (0.32) KDM4E
Water SCHEMBL31387323 0.72 ALDH1A1 (0.33) POLBKDM4ELMNATP53L3MBTL1
SCHEMBL16769010 0.72 KDM4E (0.32) KDM4ELMNA
SCHEMBL755867 0.71

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-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
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
WO-2001036398-A1 BENZOXA- AND BENZTHIAZOLES NOVARTIS AG (CH) 2001-05-25 WO disclosed