SCHEMBL4081168

SCHEMBL4081168

CCCC(CCC)COc1cccc(OC(C)CNC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.53
MTNR1B P49286 13/20 0.53
KDM4E B2RXH2 1/20 0.43
NSD2 O96028 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43

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
SCHEMBL2205709 0.85 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1
SCHEMBL2203512 0.85 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1
SCHEMBL2203514 0.85 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1
SCHEMBL25822216 0.85 KDM4E (0.47) MTNR1AMTNR1BKDM4ENSD2ALDH1A1
SCHEMBL13881608 0.85 KDM4E (0.47) MTNR1AMTNR1BKDM4ENSD2ALDH1A1
SCHEMBL25818089 0.84 MTNR1A (0.44) MTNR1AMTNR1BKDM4ENSD2ALDH1A1
SCHEMBL25822212 0.84 MTNR1A (0.44) MTNR1AMTNR1BKDM4ENSD2ALDH1A1
SCHEMBL4568804 0.82 GPBAR1 (0.52) MTNR1AMTNR1BHTR1DHTR1B
SCHEMBL4568789 0.82 GPBAR1 (0.52) MTNR1AMTNR1BHTR1DHTR1B
SCHEMBL2205571 0.79 GPBAR1 (0.41) MTNR1AMTNR1BHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 WO disclosed