SCHEMBL17288014

SCHEMBL17288014

CCN(CC)c1ccc(C(O)c2ccccc2C(=O)O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.61
MEN1 O00255 7/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
ALDH1A1 P00352 9/20 0.47
KDM4E B2RXH2 5/20 0.47
GAA P10253 5/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 7/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC16A3 O15427 1/20 0.41
ALOX15 P16050 1/20 0.41
SLC16A1 P53985 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RECQL P46063 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40

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
SCHEMBL12799441 0.90 MEN1 (0.51) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3830414 0.85 SMN1; SMN2 (0.47) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3825700 0.81 MAPT (0.48) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3826986 0.80 TSHR (0.52) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL17429824 0.79 MEN1 (0.56) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL19303089 0.78 CSNK2A1 (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL27743032 0.78 MEN1 (0.47) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3830845 0.78 KMT2A (0.40) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL10020928 0.78 ALDH1A1 (0.49) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL537276 0.77 MEN1 (0.68) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1

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-2010294-B1 ANTIOXIDANTS MERCK PATENT GMBH (DE) 2015-12-02 EP claimed