SCHEMBL4789536

SCHEMBL4789536

CCCCNC(=O)C(O)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.43
USP2 O75604 1/20 0.43
REN P00797 1/20 0.42
METAP2 P50579 1/20 0.42
HTT P42858 1/20 0.41
KDM4E B2RXH2 2/20 0.40
DPP7 Q9UHL4 1/20 0.40
TSHR P16473 1/20 0.40
EPHX1 P07099 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP8 P22894 1/20 0.39
POLB P06746 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL4559647 0.73 SIGMAR1 (0.46) USP2KDM4ETSHRMEN1KMT2A
SCHEMBL9548562 0.72 MEN1 (0.56) ALDH1A1MAPTUSP2METAP2DPP7
SCHEMBL14602764 0.72 MEN1 (0.56) ALDH1A1MAPTUSP2METAP2DPP7
SCHEMBL1681188 0.72 HTT (0.67) ALDH1A1GAAHTTMEN1KMT2A
SCHEMBL8815679 0.70 MEN1 (0.55) DPP7EPHX1MEN1KMT2AMMP8
SCHEMBL4732560 0.69 HTT (0.69) ALDH1A1GAAHTTKDM4EMEN1
SCHEMBL2875261 0.69 ALDH1A1 (0.72) ALDH1A1GAAHTTKDM4ETSHR
SCHEMBL8303682 0.69 L3MBTL1 (0.54) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL7404199 0.69 ALDH1A2 (0.50) ALDH1A1DPP7EPHX1MMP8
SCHEMBL9157273 0.69 DPP7 (0.48) ALDH1A1MAPTUSP2METAP2DPP7

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-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed