SCHEMBL6829110

SCHEMBL6829110

C=C(C)C(=O)OCCCCCCC(C)(C)OC(=O)C(=C)C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
THRB P10828 1/20 0.43
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 1/20 0.32
NAAA Q02083 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
RAD52 P43351 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL19019783 1.00 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19019780 0.98 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL1162378 0.93 TSHR (0.53) TSHRPOLBAPEX1HTTTDP1
SCHEMBL21555723 0.91 TSHR (0.49) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7701376 0.89 TSHR (0.41) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7706289 0.89 TSHR (0.41) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7709308 0.89 TSHR (0.41) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7706303 0.88 ALDH1A1 (0.41) TSHRTDP1THRBALDH1A1
SCHEMBL16207848 0.87 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16286674 0.87 TSHR (0.59) 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-1428856-A1 Thermoplastic resin composition comprising a crosslinked composition derived from a softening agent for rubber Riken Technos Corporation (JP) 2004-06-16 EP disclosed