SCHEMBL28205014

SCHEMBL28205014

CC(C)(C)OC(=O)CCc1ccc(Br)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.39
FFAR1 O14842 2/20 0.39
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
AAK1 Q2M2I8 2/20 0.36
APP P05067 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL10290996 0.84 FFAR4 (0.43) FFAR4FFAR1MTNR1AMTNR1BAPP
SCHEMBL23582812 0.83 EPHX2 (0.46) FFAR4FFAR1MTNR1AMTNR1BAPP
SCHEMBL1094441 0.83 MTNR1A (0.36) FFAR4FFAR1MTNR1AMTNR1BAPP
SCHEMBL12984627 0.81 CYP4F2 (0.56) FFAR4FFAR1APPCYP4F2CYP4A11
SCHEMBL1068886 0.80 CYP4F2 (0.38) MTNR1AMTNR1BAPPCYP4F2CYP4A11
SCHEMBL1128630 0.80 CA2 (0.49) AAK1
SCHEMBL23582768 0.80 FFAR4 (0.44) FFAR4MTNR1AMTNR1B
SCHEMBL10982252 0.79 CYP4F2 (0.50) FFAR1MTNR1AMTNR1BCYP4F2CYP4A11
SCHEMBL16048629 0.79 MTNR1A (0.40) MTNR1AMTNR1BAPP
SCHEMBL30927066 0.79 NR3C2 (0.45) FFAR4FFAR1

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
CN-110167921-A ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS 勃林格殷格翰动物保健美国公司 2019-08-23 CN disclosed
CN-108699052-A ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS 梅里亚股份有限公司 2018-10-23 CN disclosed
CN-107835818-A Anthelmintic depsipeptide compounds 梅里亚股份有限公司 2018-03-23 CN disclosed