SCHEMBL2340545

SCHEMBL2340545

CCOC(=O)[C@H]1CC[C@@H](OC(C)C)CC1.CCOC(=O)[C@H]1CC[C@H](OC(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PPM1B O75688 1/20 0.41
PTPN1 P18031 1/20 0.41
PPP1CC P36873 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.40
DEGS1 O15121 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL2339450 1.00 MAPT (0.50) MAPTALDH1A1MEN1KMT2APPM1B
SCHEMBL2339444 1.00 MAPT (0.50) MAPTALDH1A1MEN1KMT2APPM1B
SCHEMBL14832682 1.00 MAPT (0.50) MAPTALDH1A1MEN1KMT2APPM1B
SCHEMBL2339937 1.00 MAPT (0.50) MAPTALDH1A1MEN1KMT2APPM1B
SCHEMBL32678164 0.89 MAPT (0.44) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL2340691 0.86 MAPT (0.47) MAPTALDH1A1MEN1KMT2APPM1B
SCHEMBL2339415 0.86 MAPT (0.47) MAPTALDH1A1MEN1KMT2APPM1B
SCHEMBL2337013 0.86 MAPT (0.47) MAPTALDH1A1MEN1KMT2APPM1B
SCHEMBL2337010 0.86 MAPT (0.47) MAPTALDH1A1MEN1KMT2APPM1B
SCHEMBL8891623 0.84 MAPT (0.60) MAPTALDH1A1MEN1KMT2APPM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358714-A1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES F. Hoffmann-La Roche AG (CH) 2011-08-24 EP disclosed
WO-2010057795-A1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-27 WO disclosed