SCHEMBL28798945

SCHEMBL28798945

CCCOC(=O)P(=O)(O)OCC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 5/20 0.39
PPARD Q03181 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TSHR P16473 2/20 0.37
LPAR1 Q92633 3/20 0.36
LPAR2 Q9HBW0 3/20 0.36
HCAR2 Q8TDS4 1/20 0.35
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL28323118 0.85 ALDH1A1 (0.42) LPAR3PPARDCA12CA1CA2
SCHEMBL28798792 0.83 LPAR3 (0.39) LPAR3PPARDCA12CA1CA2
SCHEMBL2238367 0.81 CA12 (0.47) LPAR3PPARDCA12CA1CA2
SCHEMBL28798815 0.80 LPAR3 (0.40) LPAR3PPARDCA12CA1CA2
SCHEMBL28783278 0.78 CYP3A4 (0.50) LPAR3TSHRLPAR1LPAR2HCAR2
Butane SCHEMBL2238363 0.76 HCAR2 (0.39) LPAR3TSHRLPAR1LPAR2HCAR2
SCHEMBL11598620 0.76 TSHR (0.42) LPAR3PPARDCA12CA1CA2
SCHEMBL2239225 0.74 ALDH1A1 (0.38) LPAR3CA12CA1CA2CA9
SCHEMBL9113455 0.72 PPARD (0.39) LPAR3PPARDCA12CA1CA2
SCHEMBL18166795 0.71 CA12 (0.50) PPARDCA12CA1CA2CA9

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-114854377-A Organic type anti-freezing cooling liquid functional additive for heavy-duty engine and production method thereof 江苏艾德露环保科技有限公司 2022-08-05 CN disclosed