SCHEMBL7396988

SCHEMBL7396988

COCC1CCC(NC(=O)OC(C)(C)C)C(=O)N1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.49
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ F2 P00734 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ BACE1 P56817 3/20 0.36
▸ CCR2 P41597 3/20 0.35
▸ BTK Q06187 1/20 0.35
▸ NAAA Q02083 2/20 0.34

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
SCHEMBL22482721 0.82 GAA (0.49) GAANFKB1NFKB2RELAF2
SCHEMBL8837782 0.80 GAA (0.47) GAANFKB1NFKB2RELAF2
SCHEMBL8837786 0.80 GAA (0.47) GAANFKB1NFKB2RELAF2
SCHEMBL23282460 0.79 GAA (0.55) GAANFKB1NFKB2RELABACE1
SCHEMBL22728463 0.79 GAA (0.55) GAANFKB1NFKB2RELABACE1
SCHEMBL22482787 0.77 GAA (0.52) GAANFKB1NFKB2RELAF2
SCHEMBL7398655 0.77 GAA (0.52) GAANFKB1NFKB2RELABACE1
SCHEMBL8837689 0.77 GAA (0.52) GAANFKB1NFKB2RELAF2
SCHEMBL22482790 0.77 GAA (0.52) GAANFKB1NFKB2RELAF2
SCHEMBL8837694 0.77 GAA (0.52) GAANFKB1NFKB2RELAF2

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
WO-2000055156-A1 SUBSTITUTED AROMATIC AMIDINE DERIVATIVE AND MEDICINAL COMPOSITION COMPRISING THE SAME C & C RESEARCH LABORATORIES (KR) 2000-09-21 — — WO disclosed
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