SCHEMBL22728463

SCHEMBL22728463

C[C@H]1CCC(NC(=O)OC(C)(C)C)C(=O)N1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.55
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ BTK Q06187 1/20 0.39
▸ EPHX2 P34913 1/20 0.37
▸ BACE1 P56817 4/20 0.37
▸ CTSK P43235 2/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ CCR2 P41597 1/20 0.36
▸ CTSD P07339 2/20 0.36

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
SCHEMBL23282460 1.00 GAA (0.55) GAANFKB1NFKB2RELABTK
SCHEMBL22482787 0.91 GAA (0.52) GAANFKB1NFKB2RELABTK
SCHEMBL8837689 0.91 GAA (0.52) GAANFKB1NFKB2RELABTK
SCHEMBL22482790 0.91 GAA (0.52) GAANFKB1NFKB2RELABTK
SCHEMBL29675327 0.91 GAA (0.52) GAANFKB1NFKB2RELABTK
SCHEMBL8837694 0.91 GAA (0.52) GAANFKB1NFKB2RELABTK
SCHEMBL8837707 0.91 GAA (0.52) GAANFKB1NFKB2RELABTK
SCHEMBL22118395 0.86 GAA (0.56) GAANFKB1NFKB2RELABTK
SCHEMBL24187626 0.86 GAA (0.56) GAANFKB1NFKB2RELABTK
SCHEMBL24187630 0.86 GAA (0.56) GAANFKB1NFKB2RELABTK

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-20220220519-A1 Transaminase mutant and use thereof ASYMCHEM LIFE SCIENCE (TIANJIN) CO., LTD. (CN) 2022-07-14 — — US disclosed
EP-3964571-A1 TRANSAMINASE MUTANT AND APPLICATION THEREOF Asymchem Life Science (Tianjin) Co., Ltd. (CN) 2022-03-09 — — EP disclosed
WO-2020237552-A1 TRANSAMINASE MUTANT AND APPLICATION THEREOF 凯莱英生命科学技术(天津)有限公司 2020-12-03 — — WO disclosed
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