SCHEMBL5044116

SCHEMBL5044116

CCCc1ccc(CCc2ccc(CN(CC(=O)O)Cc3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
PSMB5 P28074 1/20 0.43
RORC P51449 1/20 0.42
LSS P48449 1/20 0.42
MTOR P42345 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
PDPK1 O15530 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL5045150 0.91 FFAR1 (0.47) FFAR1PSMB5RORC
SCHEMBL2475473 0.87 LSS (0.48) FFAR1LSSMTORMEN1KMT2A
SCHEMBL5048701 0.84 S1PR4 (0.49) MEN1KMT2AL3MBTL1
SCHEMBL31035881 0.84 LSS (0.45) LSSMTORMEN1KMT2A
SCHEMBL4670156 0.83 PTPN11 (0.45) FFAR1RORCHDAC1HDAC8
SCHEMBL4327886 0.81 MEN1 (0.43) FFAR1PSMB5LSSMTORMEN1
SCHEMBL9408547 0.80 TDP1 (0.47) FFAR1RORCLSSMTORMEN1
SCHEMBL27659345 0.78 L3MBTL1 (0.43) FFAR1KMT2AL3MBTL1HDAC1HDAC8
SCHEMBL5047241 0.77 TMEM97 (0.56) LSSMEN1KMT2AL3MBTL1MCHR1
SCHEMBL18586316 0.77 SORT1 (0.43) LSSMEN1KMT2A

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 claimed