SCHEMBL8837694

SCHEMBL8837694

CC1CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.52
▸ BTK Q06187 1/20 0.43
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ CCR2 P41597 2/20 0.40
▸ BACE1 P56817 4/20 0.40
▸ F2 P00734 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CTSD P07339 2/20 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
SCHEMBL22482790 1.00 GAA (0.52) GAABTKNFKB1NFKB2RELA
SCHEMBL8837707 1.00 GAA (0.52) GAABTKNFKB1NFKB2RELA
SCHEMBL22482787 1.00 GAA (0.52) GAABTKNFKB1NFKB2RELA
SCHEMBL8837689 1.00 GAA (0.52) GAABTKNFKB1NFKB2RELA
SCHEMBL29675327 1.00 GAA (0.52) GAABTKNFKB1NFKB2RELA
SCHEMBL23282460 0.91 GAA (0.55) GAABTKNFKB1NFKB2RELA
SCHEMBL22728463 0.91 GAA (0.55) GAABTKNFKB1NFKB2RELA
SCHEMBL22118395 0.84 GAA (0.56) GAABTKNFKB1NFKB2RELA
SCHEMBL24187630 0.84 GAA (0.56) GAABTKNFKB1NFKB2RELA
SCHEMBL24187626 0.84 GAA (0.56) GAABTKNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654294-A CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB (US) 1997-08-05 — — US disclosed
US-5646276-A ANGIOTENSIN CONVERTING ENZYME AND NEUTRAL ENDOPEPTIDASE INHIBITORS; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-08 — — US disclosed
US-5552397-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-09-03 — — US disclosed
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