SCHEMBL5427258

SCHEMBL5427258

COc1ccc(C(=O)N2CCN(c3cc(OC)ccc3[C]=O)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
MAPT P10636 4/20 0.57
GAA P10253 2/20 0.56
HSP90AA1 P07900 1/20 0.56
MAPK1 P28482 1/20 0.56
HPGD P15428 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
SLC6A7 Q99884 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 2/20 0.50

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
SCHEMBL20631562 0.79 HPGD (0.86) ALDH1A1GAAHPGDL3MBTL1KDM4E
SCHEMBL5371849 0.78 MEN1 (0.56) ALDH1A1MAPTGAAHSP90AA1MAPK1
SCHEMBL19479126 0.77 ALDH1A1 (0.83) ALDH1A1MAPTGAAMAPK1HPGD
SCHEMBL27296588 0.75 HPGD (0.64) ALDH1A1MAPTGAAHPGDKDM4E
SCHEMBL10053023 0.73 HPGD (0.75) ALDH1A1MAPTGAAHPGDL3MBTL1
SCHEMBL2534411 0.73 HPGD (1.00) ALDH1A1MAPTGAAHPGDL3MBTL1
SCHEMBL766272 0.72 RBP4 (0.75) ALDH1A1GAAHPGDKDM4EHTT
SCHEMBL26487595 0.72 GPR183 (0.73) ALDH1A1MAPTGAAHSP90AA1MAPK1
SCHEMBL27508888 0.72 ALDH1A1 (0.75) ALDH1A1MAPTGAAMAPK1HPGD
SCHEMBL2535536 0.72 HPGD (0.96) ALDH1A1MAPTGAAHPGDL3MBTL1

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
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US disclosed