SCHEMBL28032745

SCHEMBL28032745

O=S(=O)(O)CCC(O)O.[NaH].[NaH]

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
PDE4A P27815 1/20 0.41
LMNA P02545 1/20 0.41
SLC6A6 P31641 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
APP P05067 1/20 0.38
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 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
SCHEMBL28795920 1.00 PTGS1 (0.41) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL1819524 0.97
SCHEMBL10828296 0.94 PTGS1 (0.41) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL28594594 0.85 S1PR2 (0.37) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL1979848 0.80 APP (0.48) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL16239228 0.78 APP (0.46) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL11551439 0.78 PTGS1 (0.38) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL1858624 0.78 PTGS1 (0.38) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL4851793 0.78 PTGS1 (0.30) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL5481869 0.76 THRB (0.43) PTGS1PDE4ALMNASLC6A6CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107429199-A Compositions comprising peptidases and biosurfactants 赢创德固赛有限公司 2017-12-01 CN disclosed
CN-105030556-A SURFACTANT COMPOSITIONS AND HIGHLY OLEAGINOUS FORMULATIONS CONTAINING THESE EVONIK INDUSTRIES AG 2015-11-11 CN disclosed
CN-105030555-A SURFACTANT COMPOSITIONS AND HIGHLY OLEAGINOUS FORMULATIONS CONTAINING THESE EVONIK INDUSTRIES AG 2015-11-11 CN disclosed