SCHEMBL5722703

SCHEMBL5722703

CCCCCCCCCCc1ccc(-c2c(F)c(F)cc3c(F)c(CCCC[Si](C)(C)CCCC)ccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
HTR2A P28223 1/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.35
TYR P14679 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7557837 0.82 RARB (0.45) RARBRARARARGHTR2AMEN1
SCHEMBL5722627 0.81 TYR (0.54) RARBRARARARGMEN1MAPT
SCHEMBL5723092 0.78 CNR2 (0.46) HTR2AMEN1MAPTKMT2ATP53
SCHEMBL5722737 0.76 TYR (0.35) MEN1MAPTKMT2ATSHRTP53
SCHEMBL5722768 0.70 ALOX5 (0.54) MEN1MAPTKMT2ATSHRTP53
SCHEMBL7558756 0.69 CNR2 (0.46) HTR2AMEN1MAPTKMT2ATP53
SCHEMBL5722722 0.68 PTGS2 (0.50) RARBRARARARGMEN1MAPT
SCHEMBL9399722 0.68 RARB (0.65) RARBRARARARGHTR2AMEN1
SCHEMBL9400011 0.68 RARB (0.65) RARBRARARARGHTR2AMEN1
SCHEMBL9763676 0.68 RARB (0.64) RARBRARARARGHTR2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028944-B1 FLUORINATED NAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES AVENTIS RES & TECH GMBH & CO (DE) 2006-01-11 EP disclosed
US-6491989-B1 6,7-DIFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES, 1,1,6,7-TETRAFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES, 1,6,7-TRIFLUORONAPHTHALENE DERIVATIVES AND 2,3-DIFLUORONAPHTHALENE DERIVATIVES AVENTIS RESEACH & TECHNOLOGIES GMBH & CO. KG (DE) 2002-12-10 US disclosed
EP-1028944-A1 FLUORINATED NAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES Aventis Research & Technologies GmbH & Co. KG (DE) 2000-08-23 EP disclosed
WO-1999023074-A1 FLUORINATED NAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-05-14 WO disclosed