SCHEMBL3884832

SCHEMBL3884832

CC=C(c1ccccc1C)P(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
MYC P01106 1/20 0.39
TYK2 P29597 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38

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
SCHEMBL3881989 0.82 KDM4E (0.44) HPGDSMN1; SMN2POLBALDH1A1MYC
SCHEMBL777030 0.78 GAA (0.48) HPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL777031 0.78 GAA (0.48) HPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2258548 0.77 HPGD (0.52) HPGDSMN1; SMN2POLBALDH1A1TYK2
SCHEMBL780573 0.76 HPGD (0.43) HPGDSMN1; SMN2POLBTYK2KDM4E
Toluic Acid SCHEMBL30331573 0.75 ALDH1A1 (0.55) HPGDSMN1; SMN2POLBALDH1A1MYC
SCHEMBL28415722 0.73 L3MBTL1 (0.56) HPGDSMN1; SMN2POLBTYK2ERCC5
SCHEMBL11031403 0.72 TSHR (0.44) SMN1; SMN2POLBALDH1A1KDM4EHSD17B10
SCHEMBL11031402 0.72 TSHR (0.44) SMN1; SMN2POLBALDH1A1KDM4EHSD17B10
SCHEMBL10725375 0.72 HPGD (0.56) HPGDSMN1; SMN2POLBTYK2KDM4E

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