SCHEMBL2390721

SCHEMBL2390721

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 5/20 0.49
HDAC2 Q92769 1/20 0.45
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
PTPN11 Q06124 4/20 0.43
NR0B2 Q15466 2/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
ALDH1A1 P00352 2/20 0.42
IKBKB O14920 1/20 0.40
RARA P10276 1/20 0.40
APP P05067 4/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC4 P56524 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) HDAC11HDAC2LMNAKDM4EPTPN11
SCHEMBL2392575 0.91 PTPN11 (0.55) HDAC11HDAC2LMNAKDM4EPTPN11
SCHEMBL6022579 0.90 HDAC11 (0.60) HDAC11HDAC2LMNAKDM4EPTPN11
SCHEMBL6022569 0.90 HDAC11 (0.60) HDAC11HDAC2LMNAKDM4EPTPN11
SCHEMBL2392187 0.90 HDAC11 (0.50) HDAC11HDAC2LMNAKDM4EHDAC1
SCHEMBL2391357 0.90 HDAC11 (0.47) HDAC11HDAC2LMNAKDM4EPTPN11
SCHEMBL2391857 0.89 PTPN11 (0.48) HDAC11HDAC2LMNAKDM4EPTPN11
SCHEMBL2391025 0.88 HDAC11 (0.50) HDAC11HDAC2LMNAKDM4EHDAC1
SCHEMBL1914161 0.86 HDAC11 (0.49) HDAC11HDAC2LMNAKDM4EHDAC1
SCHEMBL2389089 0.85 HDAC11 (0.47) HDAC11HDAC2LMNAKDM4EPTPN11

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