SCHEMBL28084204

SCHEMBL28084204

CCCCNCCCC.OCCONOCCO

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.46
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
CNR2 P34972 2/20 0.37
TRPV1 Q8NER1 2/20 0.37
KDM4E B2RXH2 1/20 0.36
CNR1 P21554 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
S1PR2 O95136 2/20 0.34
S1PR4 O95977 2/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34

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
Butyl Alcohol SCHEMBL28056860 0.84 ALDH1A1 (0.55) ACHETSHRALDH1A1MEN1THRB
SCHEMBL5016839 0.82 TSHR (0.44) ACHETSHRALDH1A1MEN1THRB
Butane SCHEMBL21054076 0.81 TSHR (0.42) ACHETSHRALDH1A1MEN1THRB
Dodecanol SCHEMBL27984993 0.80 TSHR (0.59) ACHETSHRALDH1A1MEN1THRB
Tridecan-1-Ol SCHEMBL27864773 0.80 TSHR (0.59) ACHETSHRALDH1A1MEN1THRB
Myristyl Alcohol SCHEMBL29236218 0.80 TSHR (0.59) ACHETSHRALDH1A1MEN1THRB
Tetraethylene Glycol SCHEMBL4609027 0.80 TSHR (0.62) ACHETSHRALDH1A1MEN1THRB
2-Methoxyethanol SCHEMBL8208383 0.80 ACHE (0.47) ACHETSHRALDH1A1MEN1THRB
SCHEMBL1052160 0.78 TSHR (0.60) ACHETSHRALDH1A1MEN1THRB
Butoxyethanol SCHEMBL10983791 0.78 TSHR (0.74) ACHETSHRALDH1A1MEN1THRB

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
CN-104250507-B Acrylic anodic electrophoretic coating and production method thereof 郎溪县鑫泽涂料有限公司 2016-08-17 CN disclosed