SCHEMBL28510309

SCHEMBL28510309

COC(=O)C(C)=COCCOP(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.35
LPAR2 Q9HBW0 7/20 0.35
LPAR1 Q92633 5/20 0.35
TPI1 P60174 1/20 0.32
ENPP2 Q13822 1/20 0.32
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
CSNK2A3 Q8NEV1 1/20 0.30
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL28510912 0.83 ALDH1A1 (0.34) KDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL3100545 0.82 LPAR3 (0.37) LPAR3LPAR2LPAR1
SCHEMBL8943006 0.79 KDM4E (0.31) KDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL6690733 0.78 LPAR3 (0.34) LPAR3LPAR2LPAR1
SCHEMBL6687851 0.78 LPAR3 (0.34) LPAR3LPAR2LPAR1
SCHEMBL30110318 0.77 LPAR3 (0.42) LPAR3LPAR2LPAR1
SCHEMBL28626113 0.77 ALDH1A1 (0.41) KDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL898881 0.76 ALDH1A1 (0.34) KDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL628622 0.74 MEN1 (0.39) KDM4ESMN1; SMN2TDP1L3MBTL1
SCHEMBL9352323 0.74 THRB (0.31) KDM4ESMN1; SMN2TDP1L3MBTL1

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
CN-112334563-A Silica scale inhibition using chelants blended with acid and alkylene oxide derived polymeric dispersants 陶氏环球技术有限责任公司 2021-02-05 CN claimed