SCHEMBL5039404

SCHEMBL5039404

CCCc1ccc(C#Cc2coc3ccc(CC(NC(=O)C(=O)O)c4ccc(C(F)(F)F)cc4)cc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.39
PTPN1 P18031 3/20 0.35
PTPN6 P29350 2/20 0.35
PTPN11 Q06124 2/20 0.35
MTNR1A P48039 1/20 0.35
PTGES O14684 1/20 0.34
FFAR1 O14842 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
UTS2R Q9UKP6 2/20 0.33

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
SCHEMBL5048897 0.82 ACACB (0.35) ACACBMTNR1AFFAR1
SCHEMBL4981880 0.80 ACACB (0.42) ACACBPTGESFFAR1CYP1A2CYP3A4
SCHEMBL1854016 0.79 PTGES (0.35) ACACBMTNR1APTGESFFAR1
SCHEMBL1852638 0.79 PTGES (0.42) ACACBPTPN11MTNR1APTGESFFAR1
SCHEMBL4966603 0.78 PLK1 (0.43) ACACBPTGESFFAR1UTS2R
SCHEMBL4671672 0.77 FFAR1 (0.38) ACACBPTPN11MTNR1APTGESFFAR1
SCHEMBL4974276 0.75 MTNR1A (0.32) ACACBMTNR1AFFAR1
SCHEMBL1852713 0.73 ACACB (0.51) ACACB
SCHEMBL5140004 0.73 PTGES (0.35) ACACBMTNR1APTGESFFAR1
SCHEMBL1854015 0.73 PTGES (0.38) ACACBMTNR1APTGESFFAR1

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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed