SCHEMBL2391369

SCHEMBL2391369

CCc1c(C=CC(=O)O)ccc(O)c1-c1ccc(OCc2ccccc2)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 5/20 0.48
RARB P10826 4/20 0.46
PTPN11 Q06124 2/20 0.42
NR0B2 Q15466 1/20 0.42
PTGER4 P35408 6/20 0.42
PTGER2 P43116 6/20 0.42
PTGER3 P43115 5/20 0.42
PTGER1 P34995 4/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC2 Q92769 2/20 0.39
HDAC7 Q8WUI4 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL2394290 0.92 HDAC11 (0.48) HDAC11RARBPTGER4PTGER2PTGER3
SCHEMBL2390067 0.87 HDAC11 (0.48) HDAC11RARBPTPN11NR0B2PTGER4
SCHEMBL2395828 0.87 HDAC11 (0.48) HDAC11RARBPTPN11NR0B2PTGER4
SCHEMBL2390726 0.86 HDAC11 (0.49) HDAC11RARBPTPN11NR0B2PTGER4
SCHEMBL2393664 0.86 HDAC11 (0.47) HDAC11RARBPTPN11NR0B2PTGER4
SCHEMBL2390173 0.86 RARB (0.62) HDAC11RARBPTPN11NR0B2KDM4E
SCHEMBL2394228 0.85 HDAC11 (0.47) HDAC11RARBPTPN11NR0B2PTGER4
SCHEMBL2387857 0.85 HDAC11 (0.46) HDAC11RARBPTGER4PTGER2PTGER3
SCHEMBL2391837 0.85 HDAC11 (0.49) HDAC11RARBPTPN11NR0B2PTGER4
SCHEMBL2393212 0.83 HDAC11 (0.45) HDAC11RARBPTPN11NR0B2PTGER4

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