SCHEMBL2391090

SCHEMBL2391090

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 11/20 0.74
NR0B2 Q15466 4/20 0.74
PTPRCAP Q14761 2/20 0.57
HDAC4 P56524 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC10 Q969S8 1/20 0.54
RARB P10826 3/20 0.54
HDAC3 O15379 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
TTR P02766 1/20 0.49
DPP4 P27487 1/20 0.49
RARA P10276 1/20 0.46
RARG P13631 1/20 0.46
MAOB P27338 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
SCHEMBL2391569 0.91 PTPN11 (0.60) PTPN11NR0B2PTPRCAPHDAC4HDAC7
SCHEMBL2390165 0.91 PTPN11 (0.59) PTPN11NR0B2PTPRCAPHDAC4HDAC7
SCHEMBL2395878 0.89 PTPN11 (0.58) PTPN11NR0B2PTPRCAPHDAC4HDAC7
SCHEMBL27601237 0.89 PTPN11 (0.57) PTPN11NR0B2PTPRCAPHDAC4HDAC7
SCHEMBL2391803 0.89 PTPN11 (0.57) PTPN11NR0B2PTPRCAPHDAC4HDAC7
SCHEMBL2392375 0.87 PTPN11 (0.55) PTPN11NR0B2PTPRCAPHDAC4HDAC7
SCHEMBL12257833 0.86 PTPN11 (0.83) PTPN11NR0B2PTPRCAPHDAC4HDAC7
SCHEMBL2391129 0.86 MAOB (0.55) PTPN11NR0B2HDAC4HDAC7HDAC11
SCHEMBL1914084 0.86 PTPN11 (0.55) PTPN11NR0B2PTPRCAPHDAC4HDAC7
SCHEMBL29604865 0.85 PTPN11 (1.00) PTPN11NR0B2PTPRCAPHDAC4HDAC7

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