SCHEMBL1463398

SCHEMBL1463398

Cc1ccc([C@H](C)NC(=O)C(NC(=O)O)C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
GPR139 Q6DWJ6 2/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.41
KEAP1 Q14145 3/20 0.41
NFE2L2 Q16236 3/20 0.41
PHGDH O43175 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41

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
SCHEMBL2882579 1.00 MEN1 (0.45) MEN1KMT2AL3MBTL1POLBCTDSP1
SCHEMBL2791062 1.00 MEN1 (0.45) MEN1KMT2AL3MBTL1POLBCTDSP1
SCHEMBL6903568 0.88 MEN1 (0.58) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL7015587 0.85 SMN1; SMN2 (0.57) MEN1KMT2AGPR139ALDH1A1LMNA
SCHEMBL20791688 0.84 L3MBTL1 (0.53) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL20791689 0.84 L3MBTL1 (0.53) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL22267 0.83 TAS1R3 (0.40) MEN1KMT2AL3MBTL1GPR139ALDH1A1
SCHEMBL10170773 0.83 TAS1R3 (0.40) MEN1KMT2AL3MBTL1GPR139ALDH1A1
SCHEMBL675390 0.83 TAS1R3 (0.40) MEN1KMT2AL3MBTL1GPR139ALDH1A1
SCHEMBL6648721 0.83 TAS1R3 (0.40) MEN1KMT2AL3MBTL1GPR139ALDH1A1

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-2011035834-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-03-31 WO disclosed