SCHEMBL8570925

SCHEMBL8570925

CCOc1ccc2cccc(CC(=O)O)c2c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.63
MTNR1B P49286 10/20 0.62
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL8571135 0.89 MTNR1A (0.66) MTNR1AMTNR1BTDP1
SCHEMBL8576193 0.89 MTNR1A (0.69) MTNR1AMTNR1BTDP1
SCHEMBL8573031 0.87 MTNR1A (0.70) MTNR1AMTNR1B
SCHEMBL8575242 0.85 MTNR1A (0.69) MTNR1AMTNR1B
SCHEMBL3914252 0.85 MTNR1A (0.64) MTNR1AMTNR1BTDP1
SCHEMBL30692247 0.85 MTNR1A (0.64) MTNR1AMTNR1BTDP1
SCHEMBL13888117 0.85 MTNR1A (0.64) MTNR1AMTNR1BTDP1
SCHEMBL4749622 0.84 MTNR1A (0.63) MTNR1AMTNR1BTDP1
SCHEMBL14005904 0.82 MTNR1A (0.55) MTNR1AMTNR1BTDP1
SCHEMBL8570951 0.81 MTNR1A (0.62) MTNR1AMTNR1BTDP1MEN1LMNA

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
US-5760071-A AN UREA OR THIOUREA COMPOUNDS FOR TREATING MELATONINERGIC SYSTEM DISORDER, SLEEP DISORDER ADIR ET COMPAGNIE (FR) 1998-06-02 US disclosed
US-5731352-A THERAPY FOR DISORDERS OF THE MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1998-03-24 US disclosed