SCHEMBL8678908

SCHEMBL8678908

C=C(C)C(=O)OCCC.C=C(CCCO)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
THRB P10828 2/20 0.45
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TBXAS1 P24557 2/20 0.33
ALDH1A1 P00352 3/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
CAMK2A Q9UQM7 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
ACHE P22303 4/20 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
SCHEMBL4902729 0.92 THRB (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL368972 0.90 TSHR (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10982125 0.88 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8525995 0.88 TSHR (0.40) TSHRTHRBTBXAS1ALDH1A1HCAR2
SCHEMBL5851844 0.87 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9776625 0.86 TSHR (0.45) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11311020 0.85 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL30512919 0.84 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9420975 0.84 TSHR (0.64) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1532811 0.84 TSHR (0.50) 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-5777022-A BLEND OF ACRYLIC RESIN, CHLORINATED POLYOLEFIN, CROSSLINKING AGENT BEE CHEMICAL COMPANY (US) 1998-07-07 US disclosed