SCHEMBL3884833

SCHEMBL3884833

CC(=CP(=O)(O)O)c1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.38
TYK2 P29597 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 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
SCHEMBL780574 0.80 SMN1; SMN2 (0.42) SMN1; SMN2HPGDPOLBTYK2KDM4E
SCHEMBL777032 0.79 GAA (0.47) SMN1; SMN2HPGDKDM4ENPC1RAB9A
SCHEMBL777685 0.79 HPGD (0.41) SMN1; SMN2HPGDPOLBTYK2KDM4E
SCHEMBL3881991 0.77 HPGD (0.46) SMN1; SMN2HPGDPOLBTYK2NPC1
SCHEMBL3883348 0.77 SMN1; SMN2 (0.40) SMN1; SMN2HPGDPOLBTYK2ERCC5
SCHEMBL9493573 0.74 TSHR (0.43) SMN1; SMN2HPGDERCC5FEN1HTT
SCHEMBL9493577 0.74 TSHR (0.43) SMN1; SMN2HPGDERCC5FEN1HTT
SCHEMBL18621223 0.74 TSHR (0.43) SMN1; SMN2HPGDERCC5FEN1HTT
SCHEMBL6048060 0.74 MEN1 (0.43) SMN1; SMN2POLBKDM4ENPC1RAB9A
SCHEMBL6048059 0.74 MEN1 (0.43) SMN1; SMN2POLBKDM4ENPC1RAB9A

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