SCHEMBL6416631

SCHEMBL6416631

CCOc1c(C)cccc1CCCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.62
PTGER3 P43115 4/20 0.62
PTGER2 P43116 4/20 0.62
PTGER1 P34995 2/20 0.62
CYSLTR2 Q9NS75 3/20 0.44
CYSLTR1 Q9Y271 3/20 0.44
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL19451864 0.85 PTGER4 (0.58) PTGER4PTGER3PTGER2PTGER1CYSLTR2
SCHEMBL11885012 0.81 PTGER4 (0.47) PTGER4PTGER3PTGER2PTGER1CYP4F2
SCHEMBL1454107 0.78 PTGER1 (0.49) PTGER4PTGER3PTGER2PTGER1CYSLTR2
SCHEMBL16961333 0.77 PTGER4 (0.41) PTGER4PTGER3PTGER2PTGER1
SCHEMBL3673001 0.77 HDAC3 (0.57) PTGER4PTGER3PTGER2PTGER1CYSLTR2
SCHEMBL16954557 0.77 MAPT (0.44) PTGER4PTGER3PTGER2PTGER1
SCHEMBL7955267 0.77 PTGER4 (1.00) PTGER4PTGER3PTGER2PTGER1THRA
SCHEMBL9863165 0.76 HDAC3 (0.55) PTGER4PTGER3PTGER2PTGER1CYSLTR2
SCHEMBL9863168 0.76 HDAC3 (0.55) PTGER4PTGER3PTGER2PTGER1CYSLTR2
SCHEMBL23964581 0.75 PTGER4 (0.60) PTGER4PTGER3PTGER2PTGER1THRA

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-6887670-B2 Production of adenine nucleotide translocator (ANT), novel ANT ligands and screening assays therefor MIGENIX CORP. (US) 2005-05-03 US disclosed