SCHEMBL8366458

SCHEMBL8366458

CC(C)CC(=O)OC(=O)CCC(=O)OC(=O)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
CA2 P00918 1/20 0.40
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.35
MIF P14174 1/20 0.34
CA1 P00915 1/20 0.33
PRKCA P17252 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
SCHEMBL248143 0.92 ALDH1A1 (0.50) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL6888482 0.91 ALDH1A1 (0.48) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL18127624 0.90 ALDH1A1 (0.44) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL28583742 0.88 CA1 (0.44) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL386476 0.88 ALDH1A1 (0.68) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL18127622 0.88 LMNA (0.45) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL739850 0.84 ALDH1A1 (0.50) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL28838568 0.84 ALDH1A1 (0.62) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL181910 0.84 MMP1 (0.45) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL11212816 0.83 LMNA (0.55) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0954596-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF $i(TAXUS) SPECIES PHYTON, INC. (US) 1999-11-10 EP disclosed
WO-1997044476-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF TAXUS SPECIES PHYTON, INC. (US) 1997-11-27 WO disclosed