SCHEMBL3098708

SCHEMBL3098708

C=C(C)C(=O)OCC[CH]CCCN

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.44
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.32
PAOX Q6QHF9 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
SCHEMBL1907288 0.86 TSHR (0.41) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23754643 0.83 TSHR (0.60) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2720245 0.83 TSHR (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL810800 0.82 THRB (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16114400 0.81 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT
SCHEMBL26526 0.81 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
Allylamine SCHEMBL28138734 0.81 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5836895 0.80 TSHR (0.67) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8699776 0.80 TSHR (0.67) TSHRTHRBPOLBAPEX1HTT
SCHEMBL27591414 0.80 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT

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
US-20100251929-A1 WATER-RESISTANT ALUMINUM PIGMENT, WATER-RESISTANT ALUMINUM PIGMENT DISPERSION, AQUEOUS INK COMPOSITION CONTAINING THE AFOREMENTIONED, AND METHOD FOR PRODUCING WATER-RESISTANT ALUMINUM PIGMENT DISPERSION SEIKO EPSON CORPORATION 2010-10-07 US disclosed