SCHEMBL8151744

SCHEMBL8151744

C=CC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 11/20 0.74
MTNR1A P48039 7/20 0.74
TGM2 P21980 2/20 0.71
PGR P06401 1/20 0.64
LPAR1 Q92633 1/20 0.60
LPAR2 Q9HBW0 1/20 0.60
LPAR3 Q9UBY5 1/20 0.60
AR P10275 1/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
RAF1 P04049 2/20 0.55

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
SCHEMBL30539172 0.90 MTNR1B (0.61) MTNR1BMTNR1ATGM2ALDH1A1POLB
SCHEMBL24168839 0.90 MTNR1B (0.61) MTNR1BMTNR1ATGM2ALDH1A1POLB
SCHEMBL20456547 0.88 TGM2 (0.90) MTNR1BMTNR1ATGM2ALDH1A1POLB
SCHEMBL31069810 0.84 TGM2 (0.66) TGM2ALDH1A1POLBSMN1; SMN2
SCHEMBL1383792 0.84 TGM2 (0.66) TGM2ALDH1A1POLBSMN1; SMN2
SCHEMBL9017578 0.84 TGM2 (1.00) TGM2PGRLPAR1LPAR2LPAR3
SCHEMBL782552 0.83 TGM2 (1.00) TGM2ALDH1A1POLBSMN1; SMN2
SCHEMBL14341775 0.83 TGM2 (0.86) MTNR1BMTNR1ATGM2PGRLPAR1
SCHEMBL21392902 0.83 TGM2 (0.71) MTNR1BMTNR1ATGM2LPAR1LPAR2
SCHEMBL20554816 0.83 ITK (0.53) MTNR1BMTNR1ATGM2

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-6090854-A Aryloxyanilides and related compounds BRISTOL-MEYERS COMPANY (US) 2000-07-18 US disclosed
WO-1999048859-A1 ARYLOXYANILIDES AND RELATED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-30 WO disclosed