SCHEMBL5722708

SCHEMBL5722708

CCCCCCCCOc1ccc(C2CCc3c(cc(F)c(F)c3O)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.41
RAB9A P51151 1/20 0.41
S1PR3 Q99500 1/20 0.39
HTR1D P28221 2/20 0.37
HTR1B P28222 2/20 0.37
LTA4H P09960 2/20 0.37
LMNA P02545 1/20 0.37
CRBN Q96SW2 1/20 0.36
TAOK1 Q7L7X3 2/20 0.36
TAOK3 Q9H2K8 1/20 0.36
PTPN1 P18031 1/20 0.36
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7793646 0.92 NR5A1 (0.41) NR5A1RAB9AS1PR3HTR1DHTR1B
SCHEMBL5722804 0.88 RAB9A (0.39) NR5A1RAB9AS1PR3HTR1DHTR1B
SCHEMBL5722827 0.84 HTR1D (0.33) NR5A1HTR1DHTR1BCRBNPTPN1
SCHEMBL7793510 0.81 RAB9A (0.40) RAB9AS1PR3CNR2CNR1
SCHEMBL5722700 0.78 NR5A1 (0.40) NR5A1S1PR3LTA4HLMNACRBN
SCHEMBL7935212 0.73 NR5A1 (0.40) NR5A1S1PR3LTA4HLMNACRBN
SCHEMBL5722671 0.72 HTR1D (0.37) NR5A1RAB9AS1PR3HTR1DHTR1B
SCHEMBL8459322 0.71 CRBN (0.47) NR5A1S1PR3LMNACRBNTP53
SCHEMBL16307340 0.71 NR5A1 (0.58) NR5A1RAB9AS1PR3LTA4HLMNA
SCHEMBL7792455 0.70 HTR1D (0.37) NR5A1RAB9AS1PR3HTR1DHTR1B

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 3 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
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