SCHEMBL29285124

SCHEMBL29285124

CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)O)C1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.64
KDM1A O60341 1/20 0.51
MAOB P27338 1/20 0.51
CTSK P43235 2/20 0.48
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
GAA P10253 2/20 0.43
CYP2C9 P11712 1/20 0.43
HSD11B1 P28845 1/20 0.43
DRD2 P14416 2/20 0.42
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.41
JAK1 P23458 2/20 0.40

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
SCHEMBL4204065 1.00 BTK (0.64) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL2722658 1.00 BTK (0.64) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL3766173 1.00 BTK (0.64) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL22998960 0.93 BTK (0.58) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL3708594 0.93 BTK (0.58) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL3708596 0.93 BTK (0.58) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL22084011 0.86 BTK (0.59) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL22084628 0.86 BTK (0.59) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL26180602 0.86 BTK (0.59) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL23912295 0.86 BTK (0.59) BTKKDM1AMAOBCTSKKMT2A

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
CN-118265711-A Chromanamidine monocyclic lactam antibiotics 默沙东有限责任公司 2024-06-28 CN disclosed