SCHEMBL8185077

SCHEMBL8185077

C=C(Cl)C(=O)OCCCCCCCCO

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ACHE P22303 6/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
APP P05067 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
NAAA Q02083 1/20 0.32
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL8185389 1.00 TSHR (0.46) TSHRACHEALDH1A1CYP3A4GAA
SCHEMBL8180555 1.00 TSHR (0.46) TSHRACHEALDH1A1CYP3A4GAA
SCHEMBL8178269 1.00 TSHR (0.46) TSHRACHEALDH1A1CYP3A4GAA
SCHEMBL8187484 1.00 TSHR (0.46) TSHRACHEALDH1A1CYP3A4GAA
SCHEMBL1375008 0.98 TSHR (0.42) TSHRACHEALDH1A1CYP3A4GAA
Ethylene Glycol SCHEMBL2025231 0.91 TSHR (0.44) TSHRACHEALDH1A1CYP3A4POLB
SCHEMBL1374276 0.91 TSHR (0.39) TSHRACHEALDH1A1CYP3A4POLB
SCHEMBL27571545 0.91 TSHR (0.52) TSHRACHEALDH1A1CYP3A4POLB
SCHEMBL8185075 0.83 TSHR (0.46) TSHRALDH1A1CYP3A4POLBAPEX1
SCHEMBL9362172 0.83 TSHR (0.46) TSHRALDH1A1CYP3A4POLBAPEX1

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