SCHEMBL5722700

SCHEMBL5722700

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.40
CRBN Q96SW2 1/20 0.40
LMNA P02545 1/20 0.38
CNR2 P34972 5/20 0.37
CNR1 P21554 3/20 0.37
S1PR3 Q99500 1/20 0.37
LTA4H P09960 2/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL7935212 0.93 NR5A1 (0.40) NR5A1CRBNLMNACNR2CNR1
SCHEMBL5722695 0.90 CRBN (0.40) NR5A1CRBNLMNACNR2CNR1
SCHEMBL5722657 0.86 CYP3A4 (0.32)
SCHEMBL5722631 0.85 CNR2 (0.34) NR5A1CRBNCNR2CNR1
SCHEMBL7931886 0.78 SPHK1 (0.40) LMNATP53
SCHEMBL5722708 0.78 NR5A1 (0.41) NR5A1CRBNLMNACNR2CNR1
SCHEMBL5722723 0.74 LTA4H (0.35) NR5A1CRBNLMNACNR2CNR1
SCHEMBL8459322 0.73 CRBN (0.47) NR5A1CRBNLMNAS1PR3TP53
SCHEMBL7793646 0.72 NR5A1 (0.41) NR5A1CRBNLMNACNR2CNR1
SCHEMBL7930592 0.72 LTA4H (0.35) NR5A1CRBNLMNACNR2CNR1

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