SCHEMBL8185075

SCHEMBL8185075

C=C(Cl)C(=O)OCCCCCCCC[O]

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NAAA Q02083 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX1 P07099 1/20 0.31
THRB P10828 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
SCHEMBL8187481 1.00 TSHR (0.46) TSHRALDH1A1CYP3A4POLBAPEX1
SCHEMBL8180554 1.00 TSHR (0.46) TSHRALDH1A1CYP3A4POLBAPEX1
SCHEMBL8185386 1.00 TSHR (0.46) TSHRALDH1A1CYP3A4POLBAPEX1
SCHEMBL8178265 1.00 TSHR (0.46) TSHRALDH1A1CYP3A4POLBAPEX1
SCHEMBL27571545 0.91 TSHR (0.52) TSHRALDH1A1CYP3A4POLBAPEX1
SCHEMBL8185077 0.83 TSHR (0.46) TSHRALDH1A1CYP3A4POLBAPEX1
SCHEMBL9357945 0.83 TSHR (0.46) TSHRALDH1A1CYP3A4POLBAPEX1
SCHEMBL9358301 0.83 TSHR (0.46) TSHRALDH1A1CYP3A4POLBAPEX1
SCHEMBL8180555 0.83 TSHR (0.46) TSHRALDH1A1CYP3A4POLBAPEX1
SCHEMBL9358330 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