SCHEMBL2391025

SCHEMBL2391025

CCOC(=O)/C=C/c1cccc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 4/20 0.50
HDAC2 Q92769 1/20 0.47
LMNA P02545 5/20 0.45
KDM4E B2RXH2 3/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 3/20 0.43
RARB P10826 3/20 0.42
RARA P10276 3/20 0.42
RARG P13631 2/20 0.42
IKBKB O14920 1/20 0.41
AKR1B10 O60218 2/20 0.40
AKR1B1 P15121 2/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
HSPD1 P10809 1/20 0.40
GOT1 P17174 1/20 0.40

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
SCHEMBL6023571 0.89 HDAC11 (0.62) HDAC11HDAC2LMNAKDM4EHDAC1
SCHEMBL6023565 0.89 HDAC11 (0.62) HDAC11HDAC2LMNAKDM4EHDAC1
SCHEMBL2390064 0.89 HDAC11 (0.48) HDAC11HDAC2LMNAKDM4EHDAC1
SCHEMBL14974246 0.89 HDAC11 (0.47) HDAC11HDAC2LMNAKDM4EHDAC1
SCHEMBL2389089 0.89 HDAC11 (0.47) HDAC11HDAC2LMNAKDM4EHDAC1
SCHEMBL1914437 0.89 HDAC11 (0.47) HDAC11HDAC2LMNAKDM4EHDAC1
SCHEMBL2391357 0.88 HDAC11 (0.47) HDAC11HDAC2LMNAKDM4EHDAC1
SCHEMBL2392187 0.88 HDAC11 (0.50) HDAC11HDAC2LMNAKDM4EHDAC1
SCHEMBL1914161 0.88 HDAC11 (0.49) HDAC11HDAC2LMNAKDM4EHDAC1
SCHEMBL2392575 0.88 PTPN11 (0.55) HDAC11HDAC2LMNAKDM4EHDAC1

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