SCHEMBL5981640

SCHEMBL5981640

C=C(C)C(=O)OCCCCC=COC=CCCCCOC(=O)C(=C)C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
THRB P10828 1/20 0.44
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 4/20 0.37
FAAH O00519 2/20 0.35
CYP3A4 P08684 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 2/20 0.32

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
SCHEMBL5981422 0.98 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5981322 0.87 THRB (0.48) TSHRTHRBPOLBAPEX1HTT
SCHEMBL31462126 0.87 TSHR (0.57) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22444842 0.83 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL6437338 0.81 TSHR (0.64) TSHRTHRBPOLBAPEX1HTT
SCHEMBL180887 0.81 TSHR (0.80) TSHRPOLBAPEX1FAAHUSP2
SCHEMBL16669478 0.81 TSHR (0.80) TSHRPOLBAPEX1FAAHUSP2
SCHEMBL31208246 0.81 TSHR (0.80) TSHRPOLBAPEX1FAAHUSP2
SCHEMBL16669481 0.81 TSHR (0.80) TSHRPOLBAPEX1FAAHUSP2
SCHEMBL9261227 0.81 TSHR (0.80) TSHRPOLBAPEX1FAAHUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1561792-B1 New ink compositions for ink jet printing AGFA GEVAERT (BE) 2006-08-30 EP disclosed
EP-1561792-A1 New ink compositions for ink jet printing Agfa-Gevaert (BE) 2005-08-10 EP disclosed