SCHEMBL6900746

SCHEMBL6900746

C[C@H](C(C(=O)Nc1cc(CCC(=O)OC(C)(C)C)ccc1Cl)c1ccc(C(C)(C)C(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 3/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL1932497 1.00 L3MBTL1 (0.40) L3MBTL1KMT2ASMN1; SMN2LMNATHRB
SCHEMBL1932521 0.93 L3MBTL1 (0.41) L3MBTL1KMT2ASMN1; SMN2LMNATHRB
SCHEMBL1930546 0.93 L3MBTL1 (0.44) L3MBTL1KMT2ASMN1; SMN2LMNATHRB
SCHEMBL1930502 0.92 L3MBTL1 (0.38) L3MBTL1KMT2ASMN1; SMN2LMNATHRB
SCHEMBL1903340 0.91 L3MBTL1 (0.38) L3MBTL1KMT2ASMN1; SMN2LMNATRPV1
SCHEMBL1932246 0.90 L3MBTL1 (0.39) L3MBTL1KMT2ASMN1; SMN2LMNATHRB
SCHEMBL6900385 0.90 L3MBTL1 (0.38) L3MBTL1KMT2ASMN1; SMN2LMNATHRB
SCHEMBL1932902 0.90 L3MBTL1 (0.37) L3MBTL1KMT2ASMN1; SMN2LMNATHRB
SCHEMBL6902481 0.89 L3MBTL1 (0.40) L3MBTL1KMT2ASMN1; SMN2LMNATHRB
SCHEMBL6900256 0.89 L3MBTL1 (0.37) L3MBTL1KMT2ASMN1; SMN2MAPTALDH1A1

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