SCHEMBL3883348

SCHEMBL3883348

CC(=CCP(=O)(O)O)c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 3/20 0.39
FFAR1 O14842 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
ACP3 P15309 1/20 0.37
GPR52 Q9Y2T5 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
TYK2 P29597 1/20 0.35

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
SCHEMBL777437 0.82 SMN1; SMN2 (0.40) SMN1; SMN2GAAHPGDFFAR1ERCC5
SCHEMBL781239 0.81 GAA (0.43) SMN1; SMN2GAAHPGDERCC5FEN1
SCHEMBL3883438 0.79 SLC6A1 (0.44) SMN1; SMN2GAAHPGDFFAR1ERCC5
SCHEMBL3884833 0.77 SMN1; SMN2 (0.42) SMN1; SMN2HPGDERCC5FEN1MAPK1
SCHEMBL778835 0.75 SMN1; SMN2 (0.41) SMN1; SMN2GAAHPGDFFAR1ERCC5
SCHEMBL3885615 0.71 LMNA (0.41) SMN1; SMN2GAAHPGDKMT2AALDH1A1
SCHEMBL10603078 0.71 HPGD (0.45) SMN1; SMN2GAAHPGDERCC5FEN1
SCHEMBL2439839 0.71 GPR52 (0.38) SMN1; SMN2HPGDERCC5FEN1GPR52
SCHEMBL18621223 0.71 TSHR (0.43) SMN1; SMN2GAAHPGDERCC5FEN1
SCHEMBL9493573 0.71 TSHR (0.43) SMN1; SMN2GAAHPGDERCC5FEN1

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-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed