SCHEMBL9230666

SCHEMBL9230666

CCC(/C(=C/CCCCCCCCCC(=O)O)c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.51
PDE4B Q07343 1/20 0.49
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
AKR1C1 Q04828 1/20 0.42
PTGS1 P23219 1/20 0.42
FFAR1 O14842 2/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
CNR1 P21554 2/20 0.40
MAPT P10636 1/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC1 Q13547 2/20 0.40
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8673543 1.00 TBXAS1 (0.51) TBXAS1PDE4BAKR1C3AKR1C2AKR1C1
SCHEMBL8843132 0.87 CNR1 (0.46) TBXAS1CNR1MAPTHDAC8HDAC1
SCHEMBL8843139 0.87 CNR1 (0.46) TBXAS1CNR1MAPTHDAC8HDAC1
SCHEMBL8652308 0.85 AKR1C3 (0.37) TBXAS1AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL8652312 0.85 AKR1C3 (0.37) TBXAS1AKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL8654446 0.83 BCHE (0.47) TBXAS1CNR1
SCHEMBL8654502 0.83 CNR1 (0.44) CNR1HDAC8HDAC1ALDH1A1LMNA
SCHEMBL9862579 0.76 CNR1 (0.48) PDE4BAKR1C3PTGS1FFAR1PPARG
SCHEMBL7180072 0.76 TBXAS1 (0.56) TBXAS1PDE4BPTGS1FFAR1PPARG
SCHEMBL7180064 0.76 TBXAS1 (0.56) TBXAS1PDE4BPTGS1FFAR1PPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5585405-A ADMINISTERING ANDROGEN OR ESTROGEN INHIBITORS ENDORECHERCHE INC. (CA) 1996-12-17 US disclosed
US-5364847-A Inhibitors of sex steroid biosynthesis and methods for their production and use ENDORECHERCHE (CA) 1994-11-15 US disclosed