SCHEMBL6901553

SCHEMBL6901553

C=Cc1ccc([C@@H](C(=O)Nc2cc(CCC(=O)OC(C)(C)C)ccc2Cl)C(C)C(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 3/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
MEN1 O00255 2/20 0.31
AAK1 Q2M2I8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
APP P05067 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL1932030 1.00 L3MBTL1 (0.35) L3MBTL1KMT2ALMNATHRBSMN1; SMN2
SCHEMBL1930502 0.91 L3MBTL1 (0.38) L3MBTL1KMT2ALMNATHRBSMN1; SMN2
SCHEMBL1933255 0.91 AAK1 (0.33) AAK1APP
SCHEMBL1903340 0.90 L3MBTL1 (0.38) L3MBTL1KMT2ALMNASMN1; SMN2TRPV1
SCHEMBL1932246 0.90 L3MBTL1 (0.39) L3MBTL1KMT2ALMNATHRBSMN1; SMN2
SCHEMBL6900385 0.89 L3MBTL1 (0.38) L3MBTL1KMT2ALMNATHRBSMN1; SMN2
SCHEMBL1932902 0.89 L3MBTL1 (0.37) L3MBTL1KMT2ALMNATHRBSMN1; SMN2
SCHEMBL1930546 0.89 L3MBTL1 (0.44) L3MBTL1KMT2ALMNATHRBSMN1; SMN2
SCHEMBL1932521 0.89 L3MBTL1 (0.41) L3MBTL1KMT2ALMNATHRBSMN1; SMN2
SCHEMBL1931845 0.89 KMT2A (0.37) L3MBTL1KMT2ALMNATHRBSMN1; SMN2

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