SCHEMBL8534233

SCHEMBL8534233

O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.84
LMNA P02545 3/20 0.84
RAB9A P51151 2/20 0.84
FFAR1 O14842 1/20 0.84
CYP1A2 P05177 1/20 0.84
HIF1A Q16665 1/20 0.84
L3MBTL1 Q9Y468 4/20 0.74
HPGD P15428 1/20 0.74
NR4A2 P43354 1/20 0.68
MAPT P10636 4/20 0.67
PTPN1 P18031 1/20 0.67
GSK3B P49841 1/20 0.67
ERCC5 P28715 1/20 0.62
FEN1 P39748 1/20 0.62
HAO1 Q9UJM8 1/20 0.62
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 4/20 0.61
GAA P10253 1/20 0.61
CYP2C19 P33261 1/20 0.61
HDAC1 Q13547 1/20 0.61

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
Fenbufen SCHEMBL11329267 0.91 SMN1; SMN2 (1.00) SMN1; SMN2LMNARAB9AFFAR1CYP1A2
Fenbufen SCHEMBL25117 0.91 SMN1; SMN2 (1.00) SMN1; SMN2LMNARAB9AFFAR1CYP1A2
Fenbufen SCHEMBL11393779 0.90 SMN1; SMN2 (0.96) SMN1; SMN2LMNARAB9AFFAR1CYP1A2
SCHEMBL719034 0.88 NR4A2 (0.85) SMN1; SMN2LMNARAB9AFFAR1CYP1A2
SCHEMBL30121738 0.88 NR4A2 (0.85) SMN1; SMN2LMNARAB9AFFAR1CYP1A2
SCHEMBL8534650 0.88 SMN1; SMN2 (0.72) SMN1; SMN2LMNARAB9AFFAR1CYP1A2
SCHEMBL11798285 0.88 SMN1; SMN2 (0.72) SMN1; SMN2LMNARAB9AFFAR1CYP1A2
SCHEMBL11798279 0.88 SMN1; SMN2 (0.72) SMN1; SMN2LMNARAB9AFFAR1CYP1A2
SCHEMBL2632728 0.88 SMN1; SMN2 (0.72) SMN1; SMN2LMNARAB9AFFAR1CYP1A2
SCHEMBL11507228 0.87 SMN1; SMN2 (0.71) SMN1; SMN2LMNARAB9AFFAR1CYP1A2

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