SCHEMBL2345801

SCHEMBL2345801

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
ALDH1A1 P00352 5/20 0.49
PPM1B O75688 1/20 0.44
PTPN1 P18031 1/20 0.44
PPP1CC P36873 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL2341347 1.00 MAPT (0.51) MAPTALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL2341968 1.00 MAPT (0.51) MAPTALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL2341343 1.00 MAPT (0.51) MAPTALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL2375356 0.89 MAPT (0.60) MAPTALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL8891623 0.89 MAPT (0.60) MAPTALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL4221 0.89
SCHEMBL237380 0.89 MAPT (0.60) MAPTALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL17802981 0.88 MAPT (0.45) MAPTALDH1A1PPM1BPTPN1PPP1CC
Hydrochloric Acid SCHEMBL28788727 0.87
SCHEMBL2275933 0.86 MAPT (0.47) MAPTALDH1A1PPM1BPTPN1PPP1CC

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