SCHEMBL28462017

SCHEMBL28462017

CC(C)COP(=S)(OCC(C)C)OP(O)(O)=S

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 6/20 0.30
LPAR3 Q9UBY5 6/20 0.30
LPAR6 P43657 3/20 0.30
LPAR1 Q92633 3/20 0.30
LPAR4 Q99677 3/20 0.30
LPAR5 Q9H1C0 3/20 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
SCHEMBL8655658 0.80
SCHEMBL6780033 0.80 ALDH1A1 (0.33)
SCHEMBL27791034 0.78 LPAR3 (0.40) LPAR2LPAR3LPAR6LPAR1LPAR4
SCHEMBL15545754 0.78 LPAR3 (0.40) LPAR2LPAR3LPAR6LPAR1LPAR4
SCHEMBL5337069 0.75 ALDH1A1 (0.31) LPAR2LPAR3
SCHEMBL9166536 0.73
SCHEMBL8089267 0.73 CYP3A4 (0.30)
SCHEMBL3924420 0.73
Ammonia Solution, Strong SCHEMBL29183576 0.73 CYP3A4 (0.30)
Sulfotep SCHEMBL10800547 0.72 PPARD (0.37)

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-111699224-A Coating composition with improved corrosion resistance PPG工业俄亥俄公司 2020-09-22 CN disclosed