SCHEMBL9845854

SCHEMBL9845854

C=C(C)C(=O)OCC(N)CCCCC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
S1PR2 O95136 5/20 0.40
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 5/20 0.40
S1PR4 O95977 4/20 0.40
THRB P10828 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LAP3 P28838 2/20 0.37
TP53 P04637 1/20 0.37
GRIK1 P39086 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
GRIK2 Q13002 1/20 0.37
FAAH O00519 1/20 0.36
PLA2G1B P04054 1/20 0.36
PLA2G2A P14555 1/20 0.36

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
SCHEMBL6056619 0.95 TSHR (0.52) TSHRS1PR2S1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL29050249 0.86 TSHR (0.53) TSHRTHRBALDH1A1GRIK1SLC1A2
SCHEMBL31093919 0.84 TSHR (0.75) TSHRS1PR2S1PR1S1PR3S1PR4
SCHEMBL7103472 0.82 ALDH1A1 (0.47) S1PR2S1PR1S1PR3S1PR4ZDHHC7
SCHEMBL12860005 0.82 TSHR (0.65) TSHRTHRBALDH1A1
SCHEMBL17941650 0.81 TSHR (0.61) TSHRTHRBZDHHC7ALDH1A1FAAH
SCHEMBL7082106 0.81 TSHR (0.61) TSHRTHRBZDHHC7ALDH1A1FAAH
SCHEMBL21853810 0.81 TSHR (0.61) TSHRTHRBZDHHC7ALDH1A1FAAH
SCHEMBL21853812 0.81 TSHR (0.61) TSHRTHRBZDHHC7ALDH1A1FAAH
SCHEMBL21853803 0.81 TSHR (0.61) TSHRTHRBZDHHC7ALDH1A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421027-A1 Use of a thermosetting covering sheet for forming hard coatings on the surface of substrates SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-04-10 EP disclosed