SCHEMBL9692383

SCHEMBL9692383

CCCCCCC1(c2ccccc2)OC1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
DNTT P04053 3/20 0.42
POLA1 P09884 2/20 0.42
POLB P06746 1/20 0.42
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
NAAA Q02083 3/20 0.38
PPARG P37231 3/20 0.37

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
SCHEMBL9691800 1.00 HTT (0.43) HTTDNTTPOLA1POLBMMP2
SCHEMBL9692301 0.83 HTT (0.45) HTTPOLBMMP2
SCHEMBL9692027 0.83 DNTT (0.35) HTTDNTTPOLA1POLBMMP2
SCHEMBL14967318 0.78 PPARG (0.50) POLBPPARG
SCHEMBL9692700 0.77 MEN1 (0.43) HTTPOLB
SCHEMBL14967067 0.76 PPARG (0.48) POLBPPARG
SCHEMBL6941360 0.75 MMP2 (0.46) MMP2MMP3MMP9
SCHEMBL6939075 0.75 MMP2 (0.46) MMP2MMP3MMP9
SCHEMBL27265071 0.75 MMP2 (0.46) MMP2MMP3MMP9
SCHEMBL14967437 0.75 L3MBTL1 (0.44) PPARG

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-0153692-B1 METHOD FOR ISOMERIZATION A GLYCIDATE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed
US-4621150-A METAL PERHALATE OR SULFONATE OR COMPLEX; GLYCIDATE, 2-HYDROXY-3-BUTENOATE, EPOXIDE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-11-04 US disclosed
EP-0153692-A2 Method for isomerization a glycidate derivative SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-09-04 EP disclosed