SCHEMBL7762891

SCHEMBL7762891

CNC(=O)[C@H](CCCNC(=N)N)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.42
SIRT2 Q8IXJ6 3/20 0.41
SIRT1 Q96EB6 3/20 0.39
HTT P42858 1/20 0.39
TPSAB1 Q15661 2/20 0.39
TPSD1 Q9BZJ3 2/20 0.39
TPSG1 Q9NRR2 2/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A1 P43005 1/20 0.39
CCR6 P51684 1/20 0.38
PAX8 Q06710 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
ANPEP P15144 1/20 0.38

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
SCHEMBL2030163 0.89 FOLH1 (0.47) FOLH1SIRT2HTTTPSAB1TPSD1
SCHEMBL2030161 0.89 FOLH1 (0.47) FOLH1SIRT2HTTTPSAB1TPSD1
SCHEMBL29266083 0.85 FOLH1 (0.46) FOLH1SIRT2HTTTPSAB1TPSD1
SCHEMBL5981757 0.84 TPSAB1 (0.55) FOLH1SIRT2HTTTPSAB1TPSD1
SCHEMBL2007479 0.83 PPIA (0.43) HTTMEN1ALDH1A1KMT2A
SCHEMBL30350537 0.83 FOLH1 (0.56) FOLH1SIRT2HTTTPSAB1TPSD1
SCHEMBL27892485 0.82 NPY4R (0.42) FOLH1SIRT2HTTSLC1A3SLC1A1
SCHEMBL3623326 0.81 FOLH1 (0.51) FOLH1SIRT2HTTSLC1A3SLC1A1
SCHEMBL7353231 0.81 HTT (0.41) FOLH1SIRT2HTTSLC1A3SLC1A1
SCHEMBL7130463 0.78 LTA4H (0.39) SLC1A3SLC1A1ALDH1A1ANPEP

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-1101492-A1 NOVEL REMEDIES FOR ALLERGIC DISEASES FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2001-05-23 EP disclosed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP disclosed