Sugi Predict

Sugi Predict / Compounds / SCHEMBL7957555

SCHEMBL7957555

SCHEMBL7957555

CC(C)C[C@@H](C(=O)N(N)C(=O)CN)[C@H](C/C=C/c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 4/20 0.46
▸ HTR2A P28223 3/20 0.37
▸ GRIK1 P39086 4/20 0.37
▸ GRIK2 Q13002 4/20 0.37
▸ LNPEP Q9UIQ6 1/20 0.32
▸ CTSC P53634 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32

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
SCHEMBL6220562 0.84 ADAM17 (0.45) ADAM17HTR2AGRIK1GRIK2
SCHEMBL7776166 0.84 ADAM17 (0.45) ADAM17HTR2AGRIK1GRIK2
SCHEMBL6224875 0.84 ADAM17 (0.45) ADAM17HTR2AGRIK1GRIK2
SCHEMBL6223932 0.84 ADAM17 (0.45) ADAM17HTR2AGRIK1GRIK2
SCHEMBL6220793 0.84 ADAM17 (0.45) ADAM17HTR2AGRIK1GRIK2
SCHEMBL6220557 0.84 ADAM17 (0.45) ADAM17HTR2AGRIK1GRIK2
SCHEMBL6220795 0.84 ADAM17 (0.45) ADAM17HTR2AGRIK1GRIK2
SCHEMBL6224872 0.84 ADAM17 (0.45) ADAM17HTR2AGRIK1GRIK2
SCHEMBL6223927 0.84 ADAM17 (0.45) ADAM17HTR2AGRIK1GRIK2
SCHEMBL6220493 0.81 ADAM17 (0.48) ADAM17HTR2AGRIK1GRIK2CTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 — — US disclosed