SCHEMBL2390726

SCHEMBL2390726

CCc1c(C=CC(=O)O)ccc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 4/20 0.49
PTGER4 P35408 6/20 0.45
PTGER2 P43116 6/20 0.45
PTGER3 P43115 5/20 0.45
PTGER1 P34995 4/20 0.45
PTPN11 Q06124 4/20 0.42
NR0B2 Q15466 2/20 0.42
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HDAC2 Q92769 1/20 0.40
RARB P10826 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
S1PR1 P21453 1/20 0.37
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36

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
SCHEMBL2390067 0.91 HDAC11 (0.48) HDAC11PTGER4PTGER2PTGER3PTGER1
SCHEMBL2395828 0.91 HDAC11 (0.48) HDAC11PTGER4PTGER2PTGER3PTGER1
SCHEMBL2391837 0.89 HDAC11 (0.49) HDAC11PTGER4PTGER2PTGER3PTGER1
SCHEMBL2394290 0.86 HDAC11 (0.48) HDAC11PTGER4PTGER2PTGER3PTGER1
SCHEMBL2391369 0.86 HDAC11 (0.48) HDAC11PTGER4PTGER2PTGER3PTGER1
SCHEMBL2390765 0.84 HDAC11 (0.44) HDAC11PTGER4PTGER2PTGER3PTGER1
SCHEMBL2395882 0.84 PTPN11 (0.59) HDAC11PTPN11NR0B2KDM4EHDAC2
SCHEMBL2391181 0.83 HDAC11 (0.48) HDAC11PTGER4PTGER2PTGER3PTGER1
SCHEMBL6022569 0.82 HDAC11 (0.60) HDAC11PTGER4PTGER2PTGER3PTGER1
SCHEMBL6022579 0.82 HDAC11 (0.60) HDAC11PTGER4PTGER2PTGER3PTGER1

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