SCHEMBL2865544

SCHEMBL2865544

O=C(O)CC(=O)OCC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.65
ALDH1A1 P00352 1/20 0.65
PTPN1 P18031 2/20 0.55
GSK3B P49841 1/20 0.51
MMP1 P03956 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
HSD11B1 P28845 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
SRD5A2 P31213 1/20 0.45
GRM4 Q14833 1/20 0.44
PDPK1 O15530 1/20 0.43
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2865542 0.92 ALDH1A1 (0.70) MAPTALDH1A1PTPN1GSK3BMMP1
SCHEMBL1643579 0.81 PTPN1 (0.73) MAPTALDH1A1PTPN1GSK3BMMP1
SCHEMBL9547932 0.80 KMT2A (0.57) MAPTALDH1A1KMT2AMEN1CES1
SCHEMBL18329404 0.79 ALDH1A1 (0.59) MAPTALDH1A1PTPN1GSK3BMMP1
SCHEMBL11366024 0.79 L3MBTL1 (0.61) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL19642632 0.79 KMT2A (0.65) MAPTALDH1A1GSK3BKMT2AMEN1
SCHEMBL19642671 0.79 KMT2A (0.65) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL20703067 0.79 VNN1 (0.46) MAPTALDH1A1HDAC8
SCHEMBL20703176 0.79 MAPT (0.45) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL19642605 0.78 MAPT (0.42) MAPTALDH1A1KMT2AMEN1HPGD

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-1805141-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2010-01-20 EP disclosed