SCHEMBL2390950

SCHEMBL2390950

CCOc1c(C=CC(=O)O)cc(Cl)c(CC)c1-c1ccc(OCc2ccccc2)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 4/20 0.45
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
PTPN11 Q06124 4/20 0.40
NR0B2 Q15466 2/20 0.40
PTGER4 P35408 6/20 0.39
PTGER2 P43116 6/20 0.39
PTGER3 P43115 5/20 0.39
PTGER1 P34995 4/20 0.39
RARB P10826 1/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
S1PR1 P21453 1/20 0.35

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
SCHEMBL2393212 0.94 HDAC11 (0.45) HDAC11KDM4ELMNAPTPN11NR0B2
SCHEMBL2394228 0.88 HDAC11 (0.47) HDAC11KDM4ELMNAPTPN11NR0B2
SCHEMBL6022621 0.87 HDAC11 (0.47) HDAC11KDM4ELMNAPTPN11NR0B2
SCHEMBL6022615 0.87 HDAC11 (0.47) HDAC11KDM4ELMNAPTPN11NR0B2
SCHEMBL2391839 0.86 PTPN11 (0.54) HDAC11KDM4EPTPN11NR0B2RARB
SCHEMBL2394290 0.83 HDAC11 (0.48) HDAC11KDM4ELMNAPTGER4PTGER2
SCHEMBL2391369 0.83 HDAC11 (0.48) HDAC11KDM4ELMNAPTPN11NR0B2
SCHEMBL2395828 0.83 HDAC11 (0.48) HDAC11KDM4ELMNAPTPN11NR0B2
SCHEMBL2387857 0.83 HDAC11 (0.46) HDAC11KDM4ELMNAPTGER4PTGER2
SCHEMBL2393664 0.83 HDAC11 (0.47) HDAC11KDM4ELMNAPTPN11NR0B2

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