SCHEMBL5149633

SCHEMBL5149633

CCOC(=O)C(C)C(C)=O.CCOC(=O)C(C)C(C)=O.C[O-].C[O-].[Ti+2]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 1/20 0.43
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
TSHR P16473 1/20 0.37
TRPA1 O75762 1/20 0.34
GLO1 Q04760 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL5148168 0.93 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10HPGDGAA
SCHEMBL5148157 0.93 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10HPGDGAA
SCHEMBL41804 0.93 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10HPGDGAA
SCHEMBL2169170 0.93 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10HPGDGAA
SCHEMBL28280411 0.91 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10HPGDGAA
SCHEMBL17433679 0.91 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10HPGDGAA
SCHEMBL8800736 0.91 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10HPGDGAA
Ethane SCHEMBL29036071 0.91 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10HPGDGAA
Sulfurous Acid SCHEMBL8754999 0.84 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10HPGDGAA
SCHEMBL7744858 0.81 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10HPGDGAA

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-1749859-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2019-09-11 EP disclosed
US-20070287780-A1 Curable Composition KANEKA CORPORATION (JP) 2007-12-13 US disclosed
EP-1749859-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2007-02-07 EP disclosed