SCHEMBL7009575

SCHEMBL7009575

COc1ccc2cccc(/C=C/C(=O)O)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.66
MTNR1B P49286 2/20 0.66
GAA P10253 1/20 0.55
HDAC8 Q9BY41 1/20 0.50
THRB P10828 1/20 0.50
ATM Q13315 1/20 0.50
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
PTGER4 P35408 1/20 0.48
PTGER3 P43115 1/20 0.48
PTGER2 P43116 1/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46

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
SCHEMBL7009577 1.00 MTNR1A (0.66) MTNR1AMTNR1BGAAHDAC8THRB
SCHEMBL124730 0.87 MTNR1A (0.64) MTNR1AMTNR1BHDAC8MEN1ALDH1A1
SCHEMBL124729 0.87 MTNR1A (0.64) MTNR1AMTNR1BHDAC8MEN1ALDH1A1
SCHEMBL7007021 0.85 MTNR1A (0.62) MTNR1AMTNR1BGAAHDAC8MEN1
SCHEMBL7007025 0.85 MTNR1A (0.62) MTNR1AMTNR1BGAAHDAC8MEN1
SCHEMBL7228521 0.83 MTNR1A (0.59) MTNR1AMTNR1BHDAC8
SCHEMBL7228520 0.83 MTNR1A (0.59) MTNR1AMTNR1BHDAC8
SCHEMBL10470091 0.82 HDAC8 (0.46) MTNR1AMTNR1BGAAHDAC8THRB
SCHEMBL10470089 0.82 HDAC8 (0.46) MTNR1AMTNR1BGAAHDAC8THRB
SCHEMBL10298599 0.80 MTNR1A (0.62) MTNR1AMTNR1BALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6583319-B1 Treating or preventing melatoninergic disorders LES LABORATOIRES SERVIER (FR) 2003-06-24 US disclosed
EP-0994102-B1 Cyclic derivatives with a cycloalkylenic chain, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-03-19 EP disclosed
EP-0994102-A1 Cyclic derivatives with a cycloalkylenic chain, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-04-19 EP disclosed