SCHEMBL5150133

SCHEMBL5150133

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MMP8 P22894 1/20 0.34

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
SCHEMBL5149553 0.94 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10GAAKDM4E
SCHEMBL856078 0.93 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10GAAKDM4E
SCHEMBL28474376 0.93 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10GAAKDM4E
Propane SCHEMBL28283403 0.91 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10GAAKDM4E
SCHEMBL17685839 0.91 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10GAAKDM4E
SCHEMBL29049226 0.91 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10GAAKDM4E
SCHEMBL28368887 0.91 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10GAAKDM4E
SCHEMBL27604414 0.89 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10GAAKDM4E
Dimethylamine SCHEMBL10870439 0.87 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10GAAKDM4E
SCHEMBL27604320 0.87 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10GAAKDM4E

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