SCHEMBL2898593

SCHEMBL2898593

CCCCCCCCCCCCCCCC1(C(O)(O)C(N)=O)Cc2cccc(c2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.41
SCN9A Q15858 3/20 0.41
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL2896137 0.78 SPHK1 (0.37) SPHK1MEN1KMT2ACYP3A4
SCHEMBL11801495 0.78 SPHK2 (0.39) SCN5ASCN9ASPHK2SPHK1MEN1
SCHEMBL3989288 0.78 SPHK2 (0.39) SCN5ASCN9ASPHK2SPHK1MEN1
SCHEMBL2901173 0.74 CETP (0.36) SPHK1CETP
SCHEMBL2762138 0.69 SPHK2 (0.40) SCN5ASCN9ASPHK2SPHK1MEN1
SCHEMBL5616777 0.65 CETP (0.39) SPHK2SPHK1MEN1KMT2AMAPT
SCHEMBL506229 0.65 TBXAS1 (0.33) MEN1KMT2AHDAC6
SCHEMBL676161 0.65 TBXAS1 (0.33) MEN1KMT2AHDAC6
SCHEMBL8050217 0.64 CETP (0.42) OPRK1CES2CES1OPRM1OPRD1
SCHEMBL2898594 0.62 SCN5A (0.40) SCN5ASCN9APPARGPPARAMEN1

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
EP-2261410-B1 POLYLACTIC ACID FILAMENT NONWOVEN FABRIC AND PRODUCTION METHOD THEREOF UNITIKA LTD (JP) 2012-07-25 EP disclosed
EP-2261410-A1 Polylactic acid filament nonwoven fabric and production method thereof Unitika, Ltd. (JP) 2010-12-15 EP disclosed
US-20100304066-A1 POLYLACTIC ACID FILAMENT NONWOVEN FABRIC AND PRODUCTION METHOD THEREOF UNITIKA LTD. (JP) 2010-12-02 US disclosed