SCHEMBL27365553

SCHEMBL27365553

COc1ccccc1CC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.59
MTNR1B P49286 6/20 0.59
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ITGA4 P13612 1/20 0.50
ITGB7 P26010 1/20 0.50
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
TTR P02766 1/20 0.48
TAAR1 Q96RJ0 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
SCHEMBL11051509 0.88 MTNR1A (0.50) MTNR1AMTNR1BL3MBTL1TDP1ITGA4
SCHEMBL9863289 0.86 MTNR1A (0.52) MTNR1AMTNR1BL3MBTL1MEN1KMT2A
SCHEMBL16410344 0.84 MTNR1A (0.51) MTNR1AMTNR1BL3MBTL1TDP1ITGA4
SCHEMBL31582834 0.84 MTNR1A (0.51) MTNR1AMTNR1BL3MBTL1TDP1ITGA4
SCHEMBL23229282 0.84 L3MBTL1 (0.50) MTNR1AMTNR1BL3MBTL1TDP1MAPT
SCHEMBL23241802 0.83 MTNR1A (0.46) MTNR1AMTNR1BL3MBTL1TDP1ITGA4
SCHEMBL4059781 0.82 L3MBTL1 (0.55) MTNR1AMTNR1BL3MBTL1TDP1MAPT
SCHEMBL30027909 0.82 MEN1 (0.58) MTNR1AMTNR1BL3MBTL1TDP1MAPT
SCHEMBL468013 0.82 MEN1 (0.58) MTNR1AMTNR1BL3MBTL1TDP1MAPT
SCHEMBL20696700 0.81 MTNR1A (0.45) MTNR1AMTNR1BL3MBTL1TDP1TSHR

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
CN-1056162-C Polyaminated ligands and metal complexes thereof GUERBET SA (FR) 2000-09-06 CN disclosed
CN-1110974-A Polyaminated ligands and metal complexes thereof GUERBET SA (FR) 1995-11-01 CN disclosed