SCHEMBL8645817

SCHEMBL8645817

NCCCCC(NOC(=O)c1ccccc1C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
ALDH1A1 P00352 2/20 0.43
ACE P12821 1/20 0.41
TLR2 O60603 2/20 0.40
FOLH1 Q04609 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ANPEP P15144 1/20 0.38
PYGL P06737 1/20 0.38
ECE1 P42892 1/20 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
SCHEMBL6152838 0.80 MMP2 (0.45) MMP2MMP9ACETLR2FOLH1
SCHEMBL5840486 0.80 MMP2 (0.45) MMP2MMP9ACETLR2FOLH1
SCHEMBL8664220 0.80 MMP2 (0.45) MMP2MMP9ACETLR2FOLH1
SCHEMBL6152839 0.76 MMP2 (0.49) MMP2MMP9TLR2FOLH1CA1
SCHEMBL5840489 0.76 MMP2 (0.49) MMP2MMP9TLR2FOLH1CA1
SCHEMBL17102265 0.75 MMP2 (0.46) MMP2MMP9ALDH1A1ACETLR2
SCHEMBL7757254 0.75 MMP2 (0.46) MMP2MMP9TLR2FOLH1CA1
Phthalic Acid SCHEMBL19210210 0.74 GSR (0.67) MMP2ALDH1A1
Phthalic Acid SCHEMBL19210211 0.74 GSR (0.67) MMP2ALDH1A1
SCHEMBL7226850 0.74 MMP2 (0.50) MMP2MMP9TLR2ANPEPECE1

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-0861260-A1 IMPROVED METHOD AND AGENTS FOR INHIBITING PROTEIN AGING THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-09-02 EP disclosed
WO-1997018223-A1 IMPROVED METHOD AND AGENTS FOR INHIBITING PROTEIN AGING THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1997-05-22 WO disclosed