SCHEMBL2395878

SCHEMBL2395878

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 7/20 0.58
NR0B2 Q15466 3/20 0.58
HDAC11 Q96DB2 4/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
RARB P10826 4/20 0.54
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
HDAC1 Q13547 1/20 0.44
HDAC10 Q969S8 1/20 0.44
PTPRCAP Q14761 1/20 0.44

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) PTPN11NR0B2HDAC11HDAC2HDAC4
SCHEMBL2390165 0.91 PTPN11 (0.59) PTPN11NR0B2HDAC11HDAC2HDAC4
SCHEMBL2391090 0.89 PTPN11 (0.74) PTPN11NR0B2HDAC11HDAC2HDAC4
SCHEMBL2392375 0.87 PTPN11 (0.55) PTPN11NR0B2HDAC11HDAC2HDAC4
SCHEMBL12257834 0.86 PTPN11 (0.64) PTPN11NR0B2HDAC11HDAC2HDAC4
SCHEMBL2391129 0.86 MAOB (0.55) PTPN11NR0B2HDAC11HDAC2HDAC4
SCHEMBL2407028 0.85 PTPN11 (0.77) PTPN11NR0B2HDAC11HDAC2HDAC4
SCHEMBL2407027 0.85 PTPN11 (0.77) PTPN11NR0B2HDAC11HDAC2HDAC4
SCHEMBL2393224 0.85 RARB (0.58) PTPN11NR0B2HDAC11HDAC2HDAC4
SCHEMBL27619799 0.85 RARB (0.58) PTPN11NR0B2HDAC11HDAC2HDAC4

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 1 patent. 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