SCHEMBL18656002

SCHEMBL18656002

CCOC(=O)C[C@@H]1CCC(=O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.38
ATM Q13315 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GLA P06280 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL19389920 0.84 ATM (0.40) ATMMEN1KMT2AGLAL3MBTL1
SCHEMBL29105869 0.82 ATM (0.51) ATMMEN1KMT2AGLAL3MBTL1
SCHEMBL24938947 0.82 ATM (0.51) ATMMEN1KMT2AGLAL3MBTL1
SCHEMBL29496240 0.81 MEN1 (0.40) SRCATMGABRA1GABRG2GABRB3
SCHEMBL19390106 0.81 NR1H2 (0.39) ATMMEN1KMT2ADDB1CRBN
SCHEMBL3734172 0.80 GLA (0.39) SRCKMT2AGLANFKB1NFKB2
SCHEMBL15288010 0.80 FKBP1A (0.41) ATMMEN1KMT2AGLANFKB1
SCHEMBL16749567 0.80 FKBP1A (0.41) ATMMEN1KMT2AGLANFKB1
SCHEMBL15288011 0.80 FKBP1A (0.41) ATMMEN1KMT2AGLANFKB1
SCHEMBL1900990 0.79 GABRA1 (0.46) ATMGABRA1GABRG2GABRB3GABRA3

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-2017045510-A1 Β-LACTAMASE INHIBITOR AND APPLICATION THEREOF 山东轩竹医药科技有限公司 2017-03-23 WO disclosed