SCHEMBL4059783

SCHEMBL4059783

COc1ccccc1CC(=O)OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TTR P02766 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL4059781 0.91 L3MBTL1 (0.55) MTNR1AMTNR1BL3MBTL1TDP1LMNA
SCHEMBL468013 0.84 MEN1 (0.58) MTNR1AMTNR1BL3MBTL1TDP1HPGD
SCHEMBL30027909 0.84 MEN1 (0.58) MTNR1AMTNR1BL3MBTL1TDP1HPGD
SCHEMBL7798248 0.83 TDP1 (0.53) L3MBTL1TDP1LMNASMN1; SMN2MAPT
SCHEMBL266821 0.82 L3MBTL1 (0.64) MTNR1AMTNR1BL3MBTL1LMNASMN1; SMN2
SCHEMBL29737506 0.82 L3MBTL1 (0.64) MTNR1AMTNR1BL3MBTL1LMNASMN1; SMN2
SCHEMBL27365553 0.81 MTNR1A (0.59) MTNR1AMTNR1BL3MBTL1TDP1LMNA
SCHEMBL27728825 0.81 L3MBTL1 (0.47) L3MBTL1TDP1LMNASMN1; SMN2MAPT
SCHEMBL10903457 0.81 L3MBTL1 (0.52) L3MBTL1TDP1LMNASMN1; SMN2MAPT
SCHEMBL27283396 0.81 L3MBTL1 (0.52) L3MBTL1TDP1LMNASMN1; SMN2MAPT

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-2109610-A1 6-BENZYL-2,3,4,7-TETRAHYDRO-INDOLO [2, 3-C] QUINOLINE COMPOUNDS USEFUL AS PDE5 INHIBITORS Nycomed GmbH (DE) 2009-10-21 EP disclosed
WO-2008095835-A1 6-BENZYL-2,3,4,7-TETRAHYDRO-INDOLO [2, 3-C] QUINOLINE COMPOUNDS USEFUL AS PDE5 INHIBITORS NYCOMED GMBH (DE) 2008-08-14 WO disclosed