SCHEMBL6900965

SCHEMBL6900965

CCC(C)(Cc1ccc(Cl)c(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C(F)(F)F)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TRPV1 Q8NER1 1/20 0.38
PPARA Q07869 6/20 0.38
PPARD Q03181 5/20 0.38
FFAR2 O15552 3/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PPARG P37231 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL1931835 1.00 L3MBTL1 (0.40) L3MBTL1MEN1KMT2ATRPV1PPARA
SCHEMBL1930555 1.00 L3MBTL1 (0.40) L3MBTL1MEN1KMT2ATRPV1PPARA
SCHEMBL1931744 1.00 L3MBTL1 (0.40) L3MBTL1MEN1KMT2ATRPV1PPARA
SCHEMBL1932221 0.93 L3MBTL1 (0.39) L3MBTL1MEN1KMT2ATRPV1PPARA
SCHEMBL1931302 0.92 L3MBTL1 (0.38) L3MBTL1MEN1KMT2APPARAPPARD
SCHEMBL1903193 0.90 L3MBTL1 (0.37) L3MBTL1MEN1KMT2ATRPV1FFAR2
SCHEMBL1930943 0.90 L3MBTL1 (0.41) L3MBTL1MEN1KMT2ATRPV1PPARA
SCHEMBL1931867 0.89 MEN1 (0.42) L3MBTL1MEN1KMT2ATRPV1FFAR2
SCHEMBL1932886 0.87 L3MBTL1 (0.38) L3MBTL1MEN1KMT2ATRPV1PPARA
SCHEMBL15546034 0.84 PPARA (0.40) L3MBTL1MEN1KMT2APPARAPPARD

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
WO-2011051165-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-05 WO disclosed