SCHEMBL2395828

SCHEMBL2395828

CCc1c(C=CC(=O)O)ccc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 4/20 0.48
PTPN11 Q06124 5/20 0.46
NR0B2 Q15466 2/20 0.46
PTGER4 P35408 5/20 0.46
PTGER2 P43116 5/20 0.46
PTGER1 P34995 4/20 0.46
PTGER3 P43115 4/20 0.46
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
RARB P10826 1/20 0.40
S1PR1 P21453 1/20 0.39
HDAC2 Q92769 1/20 0.39
KCNA3 P22001 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL2391837 0.94 HDAC11 (0.49) HDAC11PTPN11NR0B2PTGER4PTGER2
SCHEMBL2390067 0.92 HDAC11 (0.48) HDAC11PTPN11NR0B2PTGER4PTGER2
SCHEMBL2390726 0.91 HDAC11 (0.49) HDAC11PTPN11NR0B2PTGER4PTGER2
SCHEMBL2394228 0.89 HDAC11 (0.47) HDAC11PTPN11NR0B2PTGER4PTGER2
SCHEMBL2391369 0.87 HDAC11 (0.48) HDAC11PTPN11NR0B2PTGER4PTGER2
SCHEMBL2394290 0.87 HDAC11 (0.48) HDAC11PTGER4PTGER2PTGER1PTGER3
SCHEMBL2391181 0.87 HDAC11 (0.48) HDAC11PTPN11NR0B2PTGER4PTGER2
SCHEMBL6023902 0.85 HDAC11 (0.55) HDAC11PTPN11NR0B2PTGER4PTGER2
SCHEMBL6023896 0.85 HDAC11 (0.55) HDAC11PTPN11NR0B2PTGER4PTGER2
SCHEMBL2390765 0.85 HDAC11 (0.44) HDAC11PTPN11NR0B2PTGER4PTGER2

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