SCHEMBL31295083

SCHEMBL31295083

CN(CC1CC(CO)C1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.46
ASGR1 P07306 1/20 0.34
SPR P35270 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
EPHX2 P34913 1/20 0.31
HTR2C P28335 2/20 0.30
SLC6A4 P31645 2/20 0.30
HSD11B1 P28845 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
SCHEMBL6019337 0.87 NR1H2 (0.43) NR1H2ASGR1SPRNFKB1NFKB2
SCHEMBL6019334 0.87 NR1H2 (0.43) NR1H2ASGR1SPRNFKB1NFKB2
SCHEMBL15017085 0.82 CNR2 (0.38) NR1H2ASGR1SPRNFKB1NFKB2
SCHEMBL24438464 0.79 ALOX5 (0.39) ASGR1SPRNFKB1NFKB2RELA
SCHEMBL803364 0.79 USP30 (0.36) NR1H2SPRHTR2CSLC6A4
SCHEMBL13627183 0.78 SPR (0.34) NR1H2ASGR1SPRNFKB1NFKB2
SCHEMBL21574018 0.78 HTR2C (0.42) HTR2CSLC6A4
SCHEMBL24622293 0.78 NR1H2 (0.47) NR1H2ASGR1NFKB1NFKB2RELA
SCHEMBL8911411 0.78 HTR2C (0.42) HTR2CSLC6A4
SCHEMBL25048008 0.78 NR1H2 (0.38) NR1H2ASGR1SPRNFKB1NFKB2

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-2024245310-A1 THIAZOLYL OR THIADIAZOLYL AMIDES DERIVATIVES AND USE THEREOF NINGBO NEWBAY TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2024-12-05 WO disclosed