SCHEMBL2392575

SCHEMBL2392575

CCOC(=O)/C=C/c1ccc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 7/20 0.55
NR0B2 Q15466 3/20 0.55
HDAC11 Q96DB2 5/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
HDAC2 Q92769 1/20 0.43
KCNA3 P22001 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PTPRCAP Q14761 1/20 0.41
IKBKB O14920 1/20 0.40
RARA P10276 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
SCHEMBL2390064 0.92 HDAC11 (0.48) PTPN11NR0B2HDAC11HDAC1HDAC7
SCHEMBL2390721 0.91 HDAC11 (0.49) PTPN11NR0B2HDAC11HDAC1HDAC7
SCHEMBL27601245 0.90 HDAC11 (0.46) PTPN11NR0B2HDAC11HDAC1HDAC7
SCHEMBL2394225 0.90 HDAC11 (0.46) PTPN11NR0B2HDAC11HDAC1HDAC7
SCHEMBL6022603 0.90 PTPN11 (0.68) PTPN11NR0B2HDAC11HDAC1HDAC7
SCHEMBL6022598 0.90 PTPN11 (0.68) PTPN11NR0B2HDAC11HDAC1HDAC7
SCHEMBL2392187 0.90 HDAC11 (0.50) HDAC11HDAC1HDAC7HDAC8HDAC6
SCHEMBL2391357 0.90 HDAC11 (0.47) PTPN11NR0B2HDAC11HDAC1HDAC7
SCHEMBL2391857 0.89 PTPN11 (0.48) PTPN11NR0B2HDAC11HDAC1HDAC7
SCHEMBL1913918 0.89 HDAC11 (0.45) PTPN11NR0B2HDAC11HDAC1HDAC7

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