SCHEMBL8534650

SCHEMBL8534650

CC(=O)CCC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.72
LMNA P02545 2/20 0.72
FFAR1 O14842 1/20 0.72
CYP1A2 P05177 1/20 0.72
RAB9A P51151 1/20 0.72
HIF1A Q16665 1/20 0.72
HPGD P15428 3/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
MAPT P10636 5/20 0.63
KDM4E B2RXH2 3/20 0.59
PTPN1 P18031 1/20 0.58
GSK3B P49841 1/20 0.58
ALDH1A1 P00352 2/20 0.58
USP2 O75604 1/20 0.58
ERCC5 P28715 1/20 0.55
FEN1 P39748 1/20 0.55
HAO1 Q9UJM8 1/20 0.55
AGTR1 P30556 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54

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
SCHEMBL2632728 1.00 SMN1; SMN2 (0.72) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
SCHEMBL8534233 0.88 SMN1; SMN2 (0.84) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
SCHEMBL822901 0.88 NR4A2 (0.68) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
SCHEMBL11686001 0.85 SMN1; SMN2 (0.62) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
Fenbufen SCHEMBL11329267 0.84 SMN1; SMN2 (1.00) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
Fenbufen SCHEMBL25117 0.84 SMN1; SMN2 (1.00) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
Levulinic Acid SCHEMBL4826758 0.82 NR4A2 (0.80) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
SCHEMBL3733726 0.82 SMN1; SMN2 (1.00) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
Fenbufen SCHEMBL11393779 0.82 SMN1; SMN2 (0.96) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
SCHEMBL800972 0.82 ERCC5 (0.67) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A

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
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed