SCHEMBL29069727

SCHEMBL29069727

CC(=O)OC1(NC(=O)OC(C)(C)C)CCC[C@H](O)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 2/20 0.33
EPHX1 P07099 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CTSK P43235 2/20 0.32
HSD11B1 P28845 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL9936616 1.00 BTK (0.36) BTKMEN1MAPK1KMT2AGAA
SCHEMBL29069756 1.00 BTK (0.36) BTKMEN1MAPK1KMT2AGAA
SCHEMBL27575292 0.82 BTK (0.36) BTKMEN1MAPK1KMT2AGAA
SCHEMBL1162997 0.81 BTK (0.36) BTKMEN1MAPK1KMT2AGAA
SCHEMBL28367798 0.80 BTK (0.35) BTKMEN1MAPK1KMT2AGAA
SCHEMBL14908805 0.79 MEN1 (0.37) BTKMEN1MAPK1KMT2AGAA
SCHEMBL29069892 0.74 BTK (0.31) BTKMEN1MAPK1KMT2A
SCHEMBL6245659 0.73 GAA (0.33) BTKMEN1MAPK1KMT2AGAA
SCHEMBL27795461 0.73 KMT2A (0.33) BTKMEN1MAPK1KMT2AGAA
SCHEMBL28142895 0.71 CA12 (0.36) BTKMEN1MAPK1KMT2AGAA

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-116323596-A Interleukin-17 inhibitors 诺华股份有限公司 2023-06-23 CN disclosed