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SCHEMBL5583026

SCHEMBL5583026

C=C(C)C(=O)OCCCCCCN(C)C(=O)C(C)=O.C=C(C)C(=O)OCCCCCN(C)C(=O)C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.57
▸ POLB P06746 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ THRB P10828 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ NAAA Q02083 1/20 0.30

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
SCHEMBL4979778 1.00 TSHR (0.57) TSHRPOLBAPEX1HTTTDP1
SCHEMBL4979637 1.00 TSHR (0.57) TSHRPOLBAPEX1HTTTDP1
SCHEMBL4979031 0.98 TSHR (0.54) TSHRPOLBAPEX1HTTTDP1
SCHEMBL4980379 0.93 TSHR (0.51) TSHRPOLBAPEX1HTTTDP1
SCHEMBL18071330 0.92 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL18071284 0.92 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL4977814 0.86 THRB (0.47) TSHRPOLBAPEX1HTTTDP1
SCHEMBL15174643 0.83 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL15174397 0.83 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL11785305 0.83 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1

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-1798218-A1 MONOMER COMPOUND, PROCESS FOR PRODUCING THE SAME, POLYMER THEREOF, AND WATER-BASED CURABLE COMPOSITION KANSAI PAINT CO., LTD. (JP) 2007-06-20 — — EP disclosed