SCHEMBL6992092

SCHEMBL6992092

CC1(C)Oc2ccc(O)cc2C1=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 6/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
XDH P47989 1/20 0.39
AKT1 P31749 1/20 0.39
CNR2 P34972 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
GAA P10253 5/20 0.36
TDP1 Q9NUW8 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 3/20 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
SCHEMBL5543912 0.78 MAPT (0.58) MAPTESR1ESR2ALDH1A1KDM4E
SCHEMBL9063898 0.76 MAPT (0.49) MAPTESR1ESR2ALDH1A1KDM4E
SCHEMBL6994893 0.71 FTO (0.38) TDP1HPGD
SCHEMBL21408598 0.69 MAPT (0.49) MAPTESR1ESR2ALDH1A1KDM4E
SCHEMBL2472619 0.69 MAPT (0.57) MAPTESR1ESR2ALDH1A1KDM4E
SCHEMBL10712890 0.67 MAPT (0.54) MAPTESR1ESR2ALDH1A1KDM4E
SCHEMBL1146916 0.67 MAPT (1.00) MAPTALDH1A1KDM4EAKT1KMT2A
SCHEMBL30629205 0.67 KDM4E (0.50) MAPTESR1ESR2ALDH1A1KDM4E
SCHEMBL26768304 0.67 KDM4E (0.50) MAPTESR1ESR2ALDH1A1KDM4E
SCHEMBL2271198 0.66 TSHR (0.56) MAPTESR1ESR2ALDH1A1KDM4E

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-0863906-B1 HETEROCYCLIC DIOXETHANE SUBSTRATES, PROCESS FOR THEIR PREPARATION AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2003-02-12 EP disclosed
US-6107036-A Heterocyclic dioxethane substrates, process for their preparation and their use ROCHE DIAGNOSTICS GMBH (DE) 2000-08-22 US disclosed
EP-0863906-A2 HETEROCYCLIC DIOXETHANE SUBSTRATES, PROCESS FOR THEIR PREPARATION AND THEIR USE Roche Diagnostics GmbH (DE) 1998-09-16 EP disclosed
WO-1997014696-A2 HETEROCYCLIC DIOXETHANE SUBSTRATES, PROCESS FOR THEIR PREPARATION AND THEIR USE BOEHRINGER MANNHEIM GMBH (DE) 1997-04-24 WO disclosed