SCHEMBL8178261

SCHEMBL8178261

CCCCCCCCCOc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.89
LTA4H P09960 4/20 0.77
RARB P10826 4/20 0.66
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
TP53 P04637 2/20 0.57
TSHR P16473 1/20 0.57
PLA2G4B P0C869 1/20 0.56
ALDH2 P05091 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP19A1 P11511 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
RAB9A P51151 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL28107978 1.00 NR5A1 (0.89) NR5A1LTA4HRARBCYP3A4CYP2D6
SCHEMBL27889979 1.00 NR5A1 (0.89) NR5A1LTA4HRARBCYP3A4CYP2D6
SCHEMBL7796805 1.00 NR5A1 (0.89) NR5A1LTA4HRARBCYP3A4CYP2D6
SCHEMBL12633727 1.00 NR5A1 (0.89) NR5A1LTA4HRARBCYP3A4CYP2D6
SCHEMBL9225728 1.00 NR5A1 (0.89) NR5A1LTA4HRARBCYP3A4CYP2D6
SCHEMBL7736934 1.00 NR5A1 (0.89) NR5A1LTA4HRARBCYP3A4CYP2D6
SCHEMBL5688520 1.00 NR5A1 (0.89) NR5A1LTA4HRARBCYP3A4CYP2D6
SCHEMBL10536480 1.00 NR5A1 (0.89) NR5A1LTA4HRARBCYP3A4CYP2D6
SCHEMBL7110214 0.98 NR5A1 (0.85) NR5A1LTA4HRARBCYP3A4CYP2D6
SCHEMBL1834632 0.94 NR5A1 (1.00) NR5A1LTA4HRARBTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143208-A Optical element and compounds used in its manufacture ROLIC AG (CH) 2000-11-07 US disclosed
EP-0520281-B1 Optical element for generating short wave laser light HOFFMANN LA ROCHE (CH) 1997-03-12 EP disclosed
US-5335303-A Quasi-phased matched optical waveguide frequency conversion element having a ferroelectric liquid crystalline material exhibiting a periodic structure HOFFMANN-LA ROCHE INC. (US) 1994-08-02 US disclosed
EP-0520281-A2 Optical element for generating short wave laser light F. HOFFMANN-LA ROCHE AG (CH) 1992-12-30 EP disclosed
EP-0152217-B1 LIQUID CRYSTALLINE CARBONIC ACID ESTERS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM Chisso Corporation (JP) 1990-08-29 EP disclosed
US-4647398-A Liquid-crystalline carbonic acid esters and liquid crystal compositions containing same CHISSO CORPORATION (JP) 1987-03-03 US disclosed
EP-0152217-A2 Liquid crystalline carbonic acid esters and liquid crystal compositions containing them Chisso Corporation (JP) 1985-08-21 EP disclosed