SCHEMBL15933760

SCHEMBL15933760

CC1(C)CC(NC(=O)OC(C)(C)C)CC(C)(CNC(=O)C2COC(=O)O2)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
GAA P10253 2/20 0.35
HCRTR2 O43614 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
BTK Q06187 1/20 0.31
MAN2B1 O00754 1/20 0.31
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
EPHX2 P34913 1/20 0.30
EPHX1 P07099 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL15925795 0.89 TSHR (0.66) TSHRTDP1
SCHEMBL15074769 0.89 TSHR (0.54) TSHRTDP1KMT2A
SCHEMBL15933759 0.85 TSHR (0.70) TSHRTDP1
SCHEMBL19688992 0.83 TSHR (0.48) TSHRTDP1
SCHEMBL20865562 0.82 TSHR (0.71) TSHRGAAHCRTR2TDP1NFKB1
SCHEMBL22605131 0.81 TSHR (0.46) TSHRTDP1
SCHEMBL21065335 0.80 TSHR (0.64) TSHRGAAHCRTR2TDP1NFKB1
SCHEMBL19688993 0.78 TSHR (0.52) TSHRTDP1
SCHEMBL19344489 0.76 TSHR (0.58) TSHRTDP1
SCHEMBL18721949 0.75 TSHR (0.38) TSHR

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-2014118268-A1 2-OXO-1,3-DIOXOLANE-4-CARBOXAMIDE BUILDING BLOCKS, THEIR PREPARATION AND USE CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2014-08-07 WO disclosed