SCHEMBL5048873

SCHEMBL5048873

CCCCCCCCCCCCNC(=O)c1ccc(CNCc2ccc(C(F)(F)F)cc2)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.46
NAAA Q02083 2/20 0.46
PPARG P37231 3/20 0.45
PPARA Q07869 3/20 0.45
PPARD Q03181 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA2 P00918 1/20 0.45
NAMPT P43490 1/20 0.44
LSS P48449 1/20 0.44
HDAC3 O15379 4/20 0.43
SLC6A5 Q9Y345 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
EPHX2 P34913 1/20 0.43
PDK1 Q15118 1/20 0.43

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
SCHEMBL5044055 0.89 MLYCD (0.51) MLYCDNAAAALDH1A1MEN1KMT2A
SCHEMBL1853826 0.88 MLYCD (0.64) MLYCDL3MBTL1NAAAPPARGPPARA
SCHEMBL5039489 0.88 MLYCD (0.50) MLYCDL3MBTL1NAAAPPARGPPARA
SCHEMBL5044219 0.87 MLYCD (0.48) MLYCDL3MBTL1PPARGPPARAALDH1A1
SCHEMBL28752190 0.87 FOLH1 (0.47) MLYCDL3MBTL1NAAASMN1; SMN2CA2
SCHEMBL6717480 0.85 MLYCD (0.53) MLYCDL3MBTL1NAAAPPARGPPARA
SCHEMBL5044022 0.83 MRGPRX4 (0.56) MLYCDNAAAALDH1A1SMN1; SMN2NAMPT
SCHEMBL1859353 0.83 MLYCD (0.48) MLYCDL3MBTL1NAAAPPARGPPARA
SCHEMBL27619621 0.82 NAAA (0.48) L3MBTL1NAAAPPARGPPARAALDH1A1
SCHEMBL6716860 0.82 MLYCD (0.58) MLYCDL3MBTL1NAAAPPARGPPARA

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