SCHEMBL2394225

SCHEMBL2394225

CCOC(=O)/C=C/c1cc(Cl)c(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 5/20 0.46
HDAC2 Q92769 1/20 0.43
PTPN11 Q06124 4/20 0.42
NR0B2 Q15466 2/20 0.42
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
IKBKB O14920 1/20 0.39
RARA P10276 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGS2 P35354 1/20 0.38
RARB P10826 1/20 0.38

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
SCHEMBL27601245 1.00 HDAC11 (0.46) HDAC11HDAC2PTPN11NR0B2LMNA
SCHEMBL2389089 0.93 HDAC11 (0.47) HDAC11HDAC2PTPN11NR0B2LMNA
SCHEMBL1913918 0.90 HDAC11 (0.45) HDAC11HDAC2PTPN11NR0B2LMNA
SCHEMBL2392575 0.90 PTPN11 (0.55) HDAC11HDAC2PTPN11NR0B2LMNA
SCHEMBL27601283 0.90 HDAC11 (0.49) HDAC11HDAC2LMNAKDM4EALDH1A1
SCHEMBL2387853 0.90 HDAC11 (0.49) HDAC11HDAC2LMNAKDM4EALDH1A1
SCHEMBL6022610 0.90 HDAC11 (0.57) HDAC11HDAC2PTPN11NR0B2LMNA
SCHEMBL6022606 0.90 HDAC11 (0.57) HDAC11HDAC2PTPN11NR0B2LMNA
SCHEMBL2390957 0.88 HDAC11 (0.45) HDAC11HDAC2PTPN11NR0B2LMNA
SCHEMBL2391779 0.88 HDAC11 (0.45) HDAC11HDAC2PTPN11NR0B2LMNA

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 3 patents. 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
CN-100348569-C Induction of apoptosis in cancer cells BURNHAM INST (US) 2007-11-14 CN disclosed
CN-1659130-A Induction of apoptosis in cancer cells BURNHAM INST (US) 2005-08-24 CN disclosed