SCHEMBL4247426

SCHEMBL4247426

O=C(COC(C(=O)O)C(O)C(=O)O)OC(C(=O)O)C(O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
SRC P12931 1/20 0.36
TSHR P16473 2/20 0.36
PGD P52209 2/20 0.33
CYP2C9 P11712 1/20 0.30
PDE4A P27815 1/20 0.30

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
SCHEMBL23630284 0.83 TSHR (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL514701 0.80 TSHR (0.41) TSHRPGDCYP2C9PDE4A
SCHEMBL1168152 0.80 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL9006278 0.77 MMP1 (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL7118530 0.77 MMP1 (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL14935874 0.77 LMNA (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL3749627 0.77 MMP1 (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL1468445 0.77 MMP1 (0.44) MMP1MMP2MMP3MMP9MMP13
SCHEMBL3386669 0.75 MMP1 (0.47) MMP1MMP2MMP3MMP9MMP13
SCHEMBL8624519 0.75 TSHR (0.39) TSHRPGDCYP2C9PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569408-A4 WET POWDER FILM-FORMING COMPOSITIONS WARNER JENKINSON COMPANY (US) 1994-06-01 EP claimed
EP-0569408-A1 WET POWDER FILM-FORMING COMPOSITIONS WARNER-JENKINSON COMPANY, INC. (US) 1993-11-18 EP claimed
WO-1992011002-A1 WET POWDER FILM-FORMING COMPOSITIONS WARNER-JENKINSON COMPANY (US) 1992-07-09 WO claimed
WO-2009117227-A2 DEPROTECTION OF OLIGONUCLEOTIDES THAT CONTAIN ONE OR MORE RIBONUCLEOTIDES MERCK & CO., INC. (US) 2009-09-24 WO disclosed