SCHEMBL17108406

SCHEMBL17108406

CCCCc1ccc(-c2ccc(-c3ccc(CCCC)c(F)c3F)c(F)c2F)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.47
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
CTSL P07711 1/20 0.45
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX5 P09917 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTRC Q99895 1/20 0.39
ELANE P08246 4/20 0.37
CTSG P08311 4/20 0.37
TLR8 Q9NR97 1/20 0.36
LIPG Q9Y5X9 1/20 0.33
KCNH2 Q12809 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
SCHEMBL21919583 0.91 TYR (0.41) TYRCTSSCTSKCTSLMEN1
SCHEMBL19160424 0.86 TYR (0.50) TYRCTSSCTSKCTSLMEN1
SCHEMBL14356142 0.86 CTSS (0.47) TYRCTSSCTSKCTSLMEN1
SCHEMBL10303300 0.85 MPL (0.41) TYRCTSSCTSKCTSLMEN1
SCHEMBL17108393 0.84 TYR (0.43) TYRCTSSCTSKCTSLMEN1
SCHEMBL20006139 0.84 MPL (0.45) TYRMPL
SCHEMBL26044782 0.84 TYR (0.39) TYRCTSSCTSKCTSLMEN1
SCHEMBL21399635 0.83 TYR (0.47) TYRCTSSCTSKCTSLMEN1
SCHEMBL17108398 0.82 TYR (0.38) TYRCTSSCTSKCTSLMEN1
SCHEMBL17356649 0.81 TYR (0.41) TYRCTSSCTSKCTSLMEN1

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