SCHEMBL10434366

SCHEMBL10434366

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
TP53 P04637 1/20 0.32
PGD P52209 1/20 0.32

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
SCHEMBL6675517 0.76 SLC1A3 (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL1196065 0.76 SLC1A3 (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL1195466 0.76 SLC1A3 (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL10417536 0.74 MMP1 (0.43) MMP1MMP2MMP3MMP9MMP13
SCHEMBL17245264 0.74 MMP1 (0.43) MMP1MMP2MMP3MMP9MMP13
SCHEMBL17245265 0.74 MMP1 (0.43) MMP1MMP2MMP3MMP9MMP13
SCHEMBL10434014 0.69 GPR84 (0.39) TP53
SCHEMBL6409663 0.68 TP53 (0.43) TP53
SCHEMBL16600087 0.68 TSHR (0.45) TP53PGD
SCHEMBL17266276 0.68 MAPK1 (0.44) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0385733-A2 Process for preparing optically active 6-t-butoxy-3,5-dihydroxyhexanoic esters Takasago International Corporation (JP) 1990-09-05 EP disclosed