SCHEMBL2393224

SCHEMBL2393224

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.58
HDAC11 Q96DB2 5/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
PTPN11 Q06124 1/20 0.52
NR0B2 Q15466 1/20 0.52
TTR P02766 1/20 0.50
DPP4 P27487 1/20 0.50
RARA P10276 2/20 0.47
RARG P13631 2/20 0.47
MAOB P27338 1/20 0.47
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL27619799 1.00 RARB (0.58) RARBHDAC11HDAC2HDAC7HDAC8
SCHEMBL2390165 0.88 PTPN11 (0.59) RARBHDAC11HDAC2HDAC7HDAC8
SCHEMBL2391569 0.86 PTPN11 (0.60) RARBHDAC11HDAC2HDAC7HDAC8
SCHEMBL2390145 0.86 RARB (0.55) RARBHDAC11HDAC2HDAC7HDAC8
SCHEMBL27601460 0.86 RARB (0.55) RARBHDAC11HDAC2HDAC7HDAC8
SCHEMBL1913988 0.85 RARB (0.54) RARBHDAC11HDAC2HDAC7HDAC8
SCHEMBL14974370 0.85 RARB (0.54) RARBHDAC11HDAC2HDAC7HDAC8
SCHEMBL2395878 0.85 PTPN11 (0.58) RARBHDAC11HDAC2HDAC7HDAC8
SCHEMBL2392375 0.85 PTPN11 (0.55) RARBHDAC11HDAC2HDAC7HDAC8
SCHEMBL2391090 0.85 PTPN11 (0.74) RARBHDAC11HDAC2HDAC7HDAC8

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