SCHEMBL7118530

SCHEMBL7118530

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
TSHR P16473 2/20 0.38
SRC P12931 1/20 0.37
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
PGD P52209 2/20 0.31
CYP2C9 P11712 1/20 0.31
PDE4A P27815 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1168152 0.82 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL94758 0.81 MMP1 (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL23630284 0.80 TSHR (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL9547012 0.79 TSHR (0.35) TSHRSRCLDHASRR
Cadaverine Tartrate SCHEMBL6754064 0.79 TSHR (0.40) MMP1MMP2MMP3MMP9MMP13
SCHEMBL14935874 0.78 LMNA (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL3749627 0.78 MMP1 (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL9006278 0.78 MMP1 (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL1468445 0.78 MMP1 (0.44) MMP1MMP2MMP3MMP9MMP13
SCHEMBL1864892 0.78 LMNA (0.42) MMP1MMP2MMP3MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3369179-B2 2003-01-20 JP claimed
EP-0666901-A4 METHOD AND COMPOSITIONS FOR REMOVING AN ALGINATE FROM A CUTANEOUS SUBSTRATE. MERCK & CO INC (US) 1999-11-24 EP claimed
EP-0666901-A1 METHOD AND COMPOSITIONS FOR REMOVING AN ALGINATE FROM A CUTANEOUS SUBSTRATE E.R. SQUIBB & SONS, INC. (US) 1995-08-16 EP claimed
WO-1994009106-A1 METHOD AND COMPOSITIONS FOR REMOVING AN ALGINATE FROM A CUTANEOUS SUBSTRATE MERCK & CO., INC. (US) 1994-04-28 WO claimed
US-5443971-A Pyranones ZENECA LIMITED (GB) 1995-08-22 US disclosed
US-5292525-A Using chelant solution MERCK & CO., INC. (US) 1994-03-08 US disclosed