SCHEMBL20054418

SCHEMBL20054418

CC(C)(C)OC(=O)NC1(C(N)=O)CCC(F)(F)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
FSHR P23945 1/20 0.37
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
CTSL P07711 1/20 0.34
APLNR P35414 1/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
GHSR Q92847 1/20 0.32
GAA P10253 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL2392486 0.92 KMT2A (0.38) KMT2AMEN1MAPK1CTSLAPLNR
SCHEMBL19920575 0.85 KMT2A (0.35) TSHRFSHRKMT2AMEN1MAPK1
SCHEMBL15114559 0.85 TSHR (0.35) TSHRFSHRKMT2AMEN1MAPK1
SCHEMBL15116717 0.85 TSHR (0.37) TSHRFSHRKMT2AMEN1MAPK1
SCHEMBL2716648 0.85 KMT2A (0.36) KMT2AMEN1MAPK1CTSLAPLNR
SCHEMBL4742076 0.85 KMT2A (0.36) KMT2AMEN1MAPK1CTSLAPLNR
SCHEMBL2746255 0.84 MAPT (0.35) TSHRFSHRKMT2AMEN1MAPK1
SCHEMBL16359134 0.84 TSHR (0.34) TSHRFSHRKMT2AMEN1MAPK1
SCHEMBL15114191 0.84 CTSL (0.36) TSHRFSHRKMT2AMEN1MAPK1
SCHEMBL2087505 0.83 GAA (0.36) KMT2AMEN1MAPK1CTSLAPLNR

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-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed