SCHEMBL17108398

SCHEMBL17108398

CCCCc1ccc(-c2ccc(-c3ccc(C)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.38
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CHKA P35790 1/20 0.35
MPL P40238 5/20 0.34
RARB P10826 2/20 0.33
GCGR P47871 1/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTRC Q99895 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
SCHEMBL21919629 0.95 TYR (0.38) TYRCTSLCTSSCTSKCHKA
SCHEMBL11933601 0.94 RARB (0.37) TYRCTSLCTSSCTSKCHKA
SCHEMBL21919583 0.92 TYR (0.41) TYRCTSLCTSSCTSKGCGR
SCHEMBL13394256 0.90 CTSL (0.43) CTSLCTSSCTSKCHKAALOX5
SCHEMBL26044782 0.89 TYR (0.39) TYRCTSLCTSSCTSKCHKA
SCHEMBL11938840 0.89 CTSL (0.42) CTSLCTSSCTSKCHKAALOX5
SCHEMBL12238347 0.88 TYR (0.46) TYRCTSLCTSSCTSKMEN1
SCHEMBL10303300 0.87 MPL (0.41) TYRCTSLCTSSCTSKCHKA
SCHEMBL17108393 0.86 TYR (0.43) TYRCTSLCTSSCTSKCHKA
SCHEMBL20006139 0.85 MPL (0.45) TYRCHKAMPLRARBHSD11B1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906662-B1 EMITTER AND HOSTS WITH AROMATIC UNITS MERCK PATENT GMBH (DE) 2020-04-01 EP disclosed
US-20150303397-A1 INORGANIC BARRIER LAYERS MERCK PATENT GMBH (DE) 2015-10-22 US disclosed
US-20150303397-A1 INORGANIC BARRIER LAYERS MERCK PATENT GMBH (DE) 2015-10-22 US disclosed
US-20150270489-A1 EMITTER AND HOSTS WITH AROMATIC UNITS MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
US-20150270489-A1 EMITTER AND HOSTS WITH AROMATIC UNITS MERCK PATENT GMBH (DE) 2015-09-24 US disclosed