SCHEMBL19993399

SCHEMBL19993399

Fc1ccc(-c2ccc(Cc3ccc(-c4ccc(F)cc4)c(I)c3I)c(I)c2I)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.34
PTGS1 P23219 4/20 0.34
NR4A2 P43354 1/20 0.34
MAPK14 Q16539 3/20 0.33
GCGR P47871 1/20 0.33
BCL2L1 Q07817 1/20 0.32
BAD Q92934 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
PRKCZ Q05513 1/20 0.32
MAPT P10636 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
SCHEMBL19993394 0.78 TTR (0.31)
SCHEMBL19993469 0.77 TTR (0.33)
SCHEMBL19993389 0.76 LOXL2 (0.38) PTGS1LOXL2
SCHEMBL19993395 0.75
SCHEMBL19993470 0.73
SCHEMBL17356559 0.72 CHKA (0.39) PTGS2PTGS1MAPK14GCGRPRKCZ
SCHEMBL19993273 0.69 AGXT (0.37) BCL2L1BADMAPT
SCHEMBL19993400 0.68 TTR (0.35)
SCHEMBL19993402 0.68 CYP17A1 (0.41)
SCHEMBL13368931 0.68 PTGS2 (0.42) PTGS2PTGS1NR4A2MAPK14GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512920-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
WO-2018050573-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2018-03-22 WO disclosed