SCHEMBL7258606

SCHEMBL7258606

COc1ccc(C(CSC(C)(C)C(=O)O)[N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
FFAR1 O14842 2/20 0.40
SLC22A12 Q96S37 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KIF11 P52732 3/20 0.38
GAA P10253 1/20 0.38
SERPINH1 P50454 1/20 0.38
KMT2A Q03164 3/20 0.37
ATM Q13315 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 1/20 0.36
NTSR1 P30989 1/20 0.36
LDHA P00338 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
SCHEMBL7255760 0.84 FFAR1 (0.37) L3MBTL1ALDH1A1FFAR1SLC22A12KIF11
SCHEMBL7255856 0.78 GAA (0.41) L3MBTL1ALDH1A1FFAR1GAASERPINH1
SCHEMBL7254972 0.74 SERPINH1 (0.54) L3MBTL1ALDH1A1FFAR1SLC22A12NPSR1
SCHEMBL7255205 0.73 GAA (0.37) GAASERPINH1KMT2A
SCHEMBL7254785 0.72 GAA (0.39) L3MBTL1ALDH1A1NPSR1GAASERPINH1
SCHEMBL4474755 0.72 L3MBTL1 (0.42) L3MBTL1ALDH1A1FFAR1GAASERPINH1
SCHEMBL7254770 0.72 HPGD (0.47) ALDH1A1GAAKMT2AMAPTLMNA
SCHEMBL23211131 0.70 GAA (0.43) L3MBTL1ALDH1A1NPSR1GAAKMT2A
SCHEMBL3019212 0.70 ALDH1A1 (0.46) L3MBTL1ALDH1A1NPSR1GAAKMT2A
SCHEMBL5757662 0.70 LDHA (0.49) FFAR1SLC22A12LDHASMN1; SMN2

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
WO-2003029188-A2 BETA-SUBSTITUTED NITROSTYRENE AND CYANOSTYRENE COMPOUNDS AND THEIR USE AS NEMATICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-04-10 WO claimed