SCHEMBL12477019

SCHEMBL12477019

O=C(O)CCc1ncc(CC=NOCc2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.41
FFAR4 Q5NUL3 7/20 0.41
PPARA Q07869 4/20 0.40
PPARD Q03181 3/20 0.40
PPARG P37231 2/20 0.40
S1PR1 P21453 1/20 0.40
FFAR2 O15552 1/20 0.39
MAOB P27338 2/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL12476644 0.90 FFAR1 (0.40) FFAR1FFAR4PPARAPPARDPPARG
SCHEMBL12476945 0.80 PTPN1 (0.41) PPARAPPARDPPARGMAOB
SCHEMBL12476718 0.80 RORC (0.38)
SCHEMBL4726499 0.79 PSEN1 (0.46) PPARAPPARDPPARGS1PR1IDO1
SCHEMBL12477486 0.79 HDAC3 (0.38) FFAR1PPARAPPARDPPARGS1PR1
SCHEMBL12477015 0.78 S1PR1 (0.58) FFAR1FFAR4PPARAPPARDPPARG
SCHEMBL12477210 0.78 S1PR1 (0.58) FFAR1FFAR4PPARAPPARDPPARG
SCHEMBL16914905 0.77 PPARD (0.54) FFAR1PPARAPPARDPPARGMAOB
SCHEMBL16915039 0.77 ADAMTS4 (0.37) FFAR1FFAR4PPARAPPARDPPARG
SCHEMBL12477207 0.77 S1PR1 (0.47) FFAR1FFAR4PPARAPPARDPPARG

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-2658851-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA Cadila Healthcare Limited (IN) 2013-11-06 EP claimed
WO-2012090220-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA CADILA HEALTHCARE LIMITED (IN) 2012-07-05 WO claimed