SCHEMBL8181968

SCHEMBL8181968

C=CC(=O)OCCCCCCCCCCCOc1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
ALDH1A1 P00352 3/20 0.61
CYP3A4 P08684 1/20 0.61
THRB P10828 1/20 0.59
NR5A1 Q13285 1/20 0.53
HPGD P15428 1/20 0.51
HTT P42858 3/20 0.51
LTA4H P09960 2/20 0.46
GAA P10253 1/20 0.45
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALB P02768 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL16705694 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4THRBNR5A1
SCHEMBL7664651 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4THRBNR5A1
SCHEMBL27451111 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4THRBNR5A1
SCHEMBL16705700 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4THRBNR5A1
SCHEMBL11175669 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4THRBNR5A1
SCHEMBL5694255 0.98 THRB (0.61) TSHRALDH1A1CYP3A4THRBNR5A1
SCHEMBL8170418 0.95 TSHR (0.56) TSHRALDH1A1CYP3A4THRBNR5A1
SCHEMBL11177318 0.95 THRB (0.61) TSHRALDH1A1CYP3A4THRBNR5A1
SCHEMBL14346689 0.94 THRB (0.56) TSHRALDH1A1CYP3A4THRBNR5A1
SCHEMBL19621629 0.93 TSHR (0.53) TSHRALDH1A1CYP3A4THRBNR5A1

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
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