SCHEMBL174761

SCHEMBL174761

CCOc1ccc(C#Cc2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
MAPT P10636 3/20 0.58
ALDH1A1 P00352 2/20 0.58
PARP10 Q53GL7 1/20 0.58
GAA P10253 1/20 0.58
ACACB O00763 10/20 0.57
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NPC1 O15118 1/20 0.54
PLK1 P53350 1/20 0.54
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL166144 0.91 L3MBTL1 (0.70) L3MBTL1MAPTALDH1A1PARP10GAA
SCHEMBL9149730 0.85 L3MBTL1 (0.63) L3MBTL1MAPTALDH1A1PARP10GAA
SCHEMBL24243599 0.85 MAPT (0.73) L3MBTL1MAPTALDH1A1PARP10GAA
SCHEMBL31160399 0.82 NQO1 (0.74) ACACB
SCHEMBL7740048 0.82 L3MBTL1 (0.60) L3MBTL1MAPTALDH1A1GAAACACB
SCHEMBL12769347 0.82 GAA (0.73) L3MBTL1MAPTALDH1A1GAA
SCHEMBL7733794 0.82 L3MBTL1 (0.60) L3MBTL1MAPTALDH1A1GAAACACB
1,4-Diethoxybenzene SCHEMBL28832463 0.81 MAOB (0.64) L3MBTL1MAPTALDH1A1PARP10GAA
SCHEMBL10994870 0.81 LMNA (0.62) L3MBTL1MAPTALDH1A1PARP10GAA
SCHEMBL4105152 0.78 MAPT (0.77) MAPTALDH1A1GAALMNAPOLB

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-2611771-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2013-07-10 EP disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 WO disclosed