SCHEMBL2391031

SCHEMBL2391031

CCc1ccc(C=CC(=O)O)cc1-c1ccc(OCc2ccccc2)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 5/20 0.56
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
PTPN11 Q06124 5/20 0.50
NR0B2 Q15466 2/20 0.50
RARB P10826 1/20 0.48
HDAC2 Q92769 1/20 0.47
AKR1C3 P42330 2/20 0.44
PTGER4 P35408 2/20 0.43
PTGER3 P43115 2/20 0.43
PTGER2 P43116 2/20 0.43
PTGER1 P34995 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
IKBKB O14920 1/20 0.42
RARA P10276 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL6023909 0.90 HDAC11 (0.57) HDAC11LMNAKDM4EPTPN11NR0B2
SCHEMBL6023917 0.90 HDAC11 (0.57) HDAC11LMNAKDM4EPTPN11NR0B2
SCHEMBL6022855 0.90 PTPN11 (0.58) HDAC11LMNAKDM4EPTPN11NR0B2
SCHEMBL6022849 0.90 PTPN11 (0.58) HDAC11LMNAKDM4EPTPN11NR0B2
SCHEMBL6022887 0.89 PTPN11 (0.59) HDAC11LMNAKDM4EPTPN11NR0B2
SCHEMBL6022883 0.89 PTPN11 (0.59) HDAC11LMNAKDM4EPTPN11NR0B2
SCHEMBL6022648 0.89 HDAC11 (0.57) HDAC11LMNAKDM4EPTPN11NR0B2
SCHEMBL6022644 0.89 HDAC11 (0.57) HDAC11LMNAKDM4EPTPN11NR0B2
SCHEMBL6022603 0.87 PTPN11 (0.68) HDAC11LMNAKDM4EPTPN11NR0B2
SCHEMBL6022598 0.87 PTPN11 (0.68) HDAC11LMNAKDM4EPTPN11NR0B2

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