SCHEMBL28291409

SCHEMBL28291409

CC(C)(C)COCCOP(=O)(O)O.CC(C)(C)COCCOP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.42
LPAR2 Q9HBW0 6/20 0.42
LPAR1 Q92633 6/20 0.42
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
THRB P10828 1/20 0.31
TPI1 P60174 1/20 0.30
CYP2C19 P33261 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
SCHEMBL23533692 1.00 LPAR3 (0.42) LPAR3LPAR2LPAR1CYP3A4TSHR
Ammonia Solution, Strong SCHEMBL29038530 0.98 LPAR3 (0.41) LPAR3LPAR2LPAR1CYP3A4TSHR
SCHEMBL19917795 0.98 LPAR3 (0.41) LPAR3LPAR2LPAR1CYP3A4TSHR
SCHEMBL19917784 0.98 LPAR3 (0.41) LPAR3LPAR2LPAR1CYP3A4TSHR
SCHEMBL249513 0.98 LPAR3 (0.41) LPAR3LPAR2LPAR1CYP3A4TSHR
SCHEMBL249511 0.87 MEN1 (0.39) LPAR3LPAR2LPAR1CYP3A4TSHR
SCHEMBL27717878 0.86 NUDT1 (0.35) LPAR3LPAR2LPAR1
SCHEMBL28315797 0.85 CYP3A4 (0.32) CYP3A4TSHR
SCHEMBL27711669 0.84 BTN3A1 (0.49)
SCHEMBL250218 0.83 BTN3A1 (0.47)

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-109585916-A A kind of flame-retardant polymer solid electrolyte material and its dielectric film and application 吉林师范大学 2019-04-05 CN disclosed