SCHEMBL7048877

SCHEMBL7048877

CC(=O)c1ccc2c(c1)[C@@H]1O[C@H]1C(C)(C)O2

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL7693611 1.00 KDM4E (0.41) KDM4E
SCHEMBL7048882 1.00 KDM4E (0.41) KDM4E
SCHEMBL9876495 0.88 ALDH1A1 (0.41) KDM4E
SCHEMBL10816510 0.85 ABCC9 (0.33) KDM4E
SCHEMBL9742155 0.85 KCNA5 (0.40)
SCHEMBL10956358 0.85 ALOX5 (0.45)
SCHEMBL11394655 0.85 ALOX5 (0.45)
SCHEMBL482265 0.85 ABCC9 (0.49)
SCHEMBL482263 0.85 ABCC9 (0.49)
SCHEMBL11394662 0.85 ALOX5 (0.45)

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-1091950-B1 SUBSTITUTED BENZOPYRAN DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2003-04-09 EP disclosed
US-6395909-B1 DRUGS FOR ANTICONVULSANTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-28 US disclosed
EP-1091950-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000000484-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-01-06 WO disclosed