SCHEMBL8058643

SCHEMBL8058643

C=C(C)C(=O)OC.C=C(CC=CC(=O)O)C(=O)OCCO.C=CC(=O)OCCCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
HPGD P15428 1/20 0.46
HCAR2 Q8TDS4 4/20 0.41
ATM Q13315 1/20 0.36
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ACHE P22303 1/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL19410302 0.96 TSHR (0.42) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL11346702 0.96 TSHR (0.46) TSHRHPGDHCAR2ATMALDH1A1
Acrylic Acid Methyl Ester SCHEMBL17956580 0.93 TSHR (0.49) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL6848771 0.92 TSHR (0.54) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL19409894 0.90 TSHR (0.49) TSHRHPGDHCAR2ATMALDH1A1
Acrylic Acid Ethyl Ester SCHEMBL19409893 0.89 TSHR (0.38) TSHRHPGDHCAR2ALDH1A1
SCHEMBL7129943 0.89 TSHR (0.48) TSHRHPGDHCAR2ATMALDH1A1
Methacrylic Acid SCHEMBL8025755 0.88 TSHR (0.51) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL2897557 0.88 TSHR (0.56) TSHRHPGDHCAR2ATMALDH1A1
Styrene SCHEMBL11118901 0.87 TSHR (0.38) TSHRHPGDHCAR2ALDH1A1MAPT

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-6083564-A APPLYING A MULTILAYER COATING FILM AND COLORED PAINT KANSAI PAINT CO., LTD. (JP) 2000-07-04 US disclosed