SCHEMBL2389424

SCHEMBL2389424

CCOC(=O)/C=C/c1ccc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)c(OCCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 4/20 0.42
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HDAC2 Q92769 1/20 0.39
EPHX2 P34913 1/20 0.38
FDPS P14324 1/20 0.38
HPGD P15428 1/20 0.38
APP P05067 2/20 0.37
PTPN11 Q06124 4/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NR0B2 Q15466 2/20 0.37
KCNA3 P22001 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL6022921 0.93 HDAC11 (0.49) HDAC11KDM4ELMNAALDH1A1HDAC2
SCHEMBL2390763 0.91 HDAC11 (0.44) HDAC11KDM4ELMNAALDH1A1HDAC2
SCHEMBL12257932 0.90 EPHX2 (0.42) HDAC11HDAC2EPHX2FDPSPTPN11
SCHEMBL2390064 0.84 HDAC11 (0.48) HDAC11KDM4ELMNAALDH1A1HDAC2
SCHEMBL6022738 0.83 HDAC11 (0.53) HDAC11KDM4ELMNAALDH1A1HDAC2
SCHEMBL6022743 0.83 HDAC11 (0.53) HDAC11KDM4ELMNAALDH1A1HDAC2
SCHEMBL2390721 0.82 HDAC11 (0.49) HDAC11KDM4ELMNAALDH1A1HDAC2
SCHEMBL2392575 0.82 PTPN11 (0.55) HDAC11KDM4ELMNAALDH1A1HDAC2
SCHEMBL2391357 0.82 HDAC11 (0.47) HDAC11KDM4ELMNAALDH1A1HDAC2
SCHEMBL2392187 0.82 HDAC11 (0.50) HDAC11KDM4ELMNAALDH1A1HDAC2

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-RE42700-E1 Induction of apoptosis in cancer cells SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-13 US disclosed