SCHEMBL7017733

SCHEMBL7017733

N#CCCc1ccc(F)c(F)c1.O=C(O)CCc1ccc(F)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.51
FFAR4 Q5NUL3 7/20 0.51
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
S1PR1 P21453 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
KEAP1 Q14145 1/20 0.41

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
SCHEMBL586063 0.87 FFAR1 (0.58) FFAR1FFAR4KEAP1
SCHEMBL4715187 0.85 MEN1 (0.57) MEN1KMT2ASLC22A12
SCHEMBL7015990 0.80 FFAR1 (0.51) FFAR1FFAR4KEAP1
SCHEMBL30444612 0.78 FFAR1 (0.65) FFAR1FFAR4S1PR1KEAP1
SCHEMBL4715830 0.78 S1PR1 (0.58) FFAR1FFAR4S1PR1SLC22A12KEAP1
SCHEMBL6985623 0.78 FFAR1 (0.65) FFAR1FFAR4S1PR1KEAP1
SCHEMBL6954266 0.77 CYP1A2 (0.57) FFAR1FFAR4
Phenyl Propionic Acid SCHEMBL6691396 0.77 KEAP1 (0.70) FFAR1FFAR4MEN1KMT2AKEAP1
SCHEMBL7020238 0.76 FFAR1 (0.66) FFAR1FFAR4S1PR1KEAP1
Hydrochloric Acid SCHEMBL7358774 0.76 CYP1A2 (0.56) FFAR1FFAR4

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
EP-1337517-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP disclosed
WO-2002030911-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 WO disclosed