SCHEMBL21065335

SCHEMBL21065335

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
BTK Q06187 1/20 0.40
HCRTR2 O43614 1/20 0.37
EPHX1 P07099 1/20 0.36
CTSK P43235 2/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
EPHX2 P34913 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HSD11B1 P28845 1/20 0.32
KCNA3 P22001 1/20 0.32

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
SCHEMBL20865562 0.92 TSHR (0.71) TSHRBTKHCRTR2EPHX1CTSK
SCHEMBL18941450 0.89 TSHR (0.60) TSHRBTKTDP1
SCHEMBL18941457 0.88 TSHR (0.58) TSHRTDP1
SCHEMBL18323868 0.84 TSHR (0.71) TSHREPHX1KMT2ATDP1NFKB1
SCHEMBL18433640 0.84 TSHR (0.67) TSHRTDP1
SCHEMBL13199418 0.83 TSHR (0.64) TSHRKMT2AGAATDP1
SCHEMBL18323867 0.83 TSHR (0.65) TSHRTDP1
SCHEMBL22476427 0.82 TSHR (0.52) TSHR
SCHEMBL20232089 0.82 TSHR (0.64) TSHRTDP1HSD11B1
SCHEMBL15850695 0.81 TSHR (0.66) TSHREPHX1TDP1

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
EP-3233790-B1 CHEMICAL BLOWING AGENT AND THERMALLY EXPANDABLE THERMOPLASTIC COMPOSITION SIKA TECH AG (CH) 2019-06-26 EP disclosed