SCHEMBL5722649

SCHEMBL5722649

CCCCCCCCOc1ccc(-c2ccc3c(O)c(F)c(F)cc3c2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.47
ALDH2 P05091 1/20 0.45
PTPN11 Q06124 2/20 0.45
RARB P10826 4/20 0.43
MCL1 Q07820 1/20 0.43
LTA4H P09960 1/20 0.42
CNR2 P34972 2/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
RARA P10276 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PLA2G4B P0C869 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
PDK2 Q15119 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL7561237 0.91 NR5A1 (0.47) NR5A1ALDH2PTPN11RARBMCL1
SCHEMBL5722766 0.87 PTPN11 (0.43) NR5A1ALDH2PTPN11RARBMCL1
SCHEMBL5722635 0.85 TDO2 (0.39) ALDH2PTPN11RARBMCL1
SCHEMBL5722784 0.84 NR5A1 (0.39) NR5A1PTPN11MCL1CNR2TP53
SCHEMBL5722771 0.82 NR5A1 (0.48) NR5A1ALDH2RARBMCL1LTA4H
SCHEMBL4866016 0.81 NR5A1 (0.55) NR5A1PTPN11RARBMCL1LTA4H
SCHEMBL8992927 0.81 NR5A1 (0.55) NR5A1PTPN11RARBMCL1LTA4H
SCHEMBL9405815 0.81 NR5A1 (0.55) NR5A1PTPN11RARBMCL1LTA4H
SCHEMBL9493860 0.80 NR5A1 (0.53) NR5A1PTPN11RARBLTA4HTP53
SCHEMBL9494141 0.80 NR5A1 (0.56) NR5A1PTPN11RARBLTA4HTP53

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