SCHEMBL2391803

SCHEMBL2391803

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 7/20 0.57
NR0B2 Q15466 3/20 0.57
RARB P10826 5/20 0.53
HDAC11 Q96DB2 3/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
TTR P02766 1/20 0.46
DPP4 P27487 1/20 0.46
PTPRCAP Q14761 1/20 0.45
CYP3A4 P08684 2/20 0.44
RARA P10276 2/20 0.43
RARG P13631 2/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL27601237 1.00 PTPN11 (0.57) PTPN11NR0B2RARBHDAC11HDAC2
SCHEMBL27601460 0.92 RARB (0.55) PTPN11NR0B2RARBHDAC11HDAC2
SCHEMBL2390145 0.92 RARB (0.55) PTPN11NR0B2RARBHDAC11HDAC2
SCHEMBL2391090 0.89 PTPN11 (0.74) PTPN11NR0B2RARBHDAC11HDAC2
SCHEMBL1914084 0.88 PTPN11 (0.55) PTPN11NR0B2RARBHDAC11HDAC2
SCHEMBL27619800 0.88 MAOB (0.54) PTPN11NR0B2RARBHDAC11HDAC2
SCHEMBL2390149 0.88 MAOB (0.54) PTPN11NR0B2RARBHDAC11HDAC2
SCHEMBL12257835 0.86 PTPN11 (0.63) PTPN11NR0B2RARBHDAC11HDAC2
SCHEMBL2391143 0.85 RARB (0.52) PTPN11NR0B2RARBHDAC11HDAC2
SCHEMBL2389503 0.85 RARB (0.52) PTPN11NR0B2RARBHDAC11HDAC2

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