SCHEMBL8424813

SCHEMBL8424813

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.46
HPGD P15428 1/20 0.46
HCAR2 Q8TDS4 4/20 0.44
ATM Q13315 1/20 0.36
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
ACHE P22303 1/20 0.33
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 1/20 0.31
THRB P10828 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL5859055 0.89 TSHR (0.58) TSHRHPGDHCAR2ATMMAPT
SCHEMBL2778233 0.89 TSHR (0.58) TSHRHPGDHCAR2ATMMAPT
Acrylic Acid Ethyl Ester SCHEMBL3421934 0.86 TSHR (0.54) TSHRHPGDHCAR2ATMMAPT
SCHEMBL3360217 0.84 TSHR (0.55) TSHRHPGDHCAR2ATMMAPT
SCHEMBL11513248 0.84 TSHR (0.49) TSHRHPGDHCAR2ATMMAPT
SCHEMBL11665731 0.80 TSHR (0.49) TSHRHPGDHCAR2ATMMAPT
SCHEMBL10798987 0.80 TSHR (0.48) TSHRHPGDATMMAPTALDH1A1
Acrylic Acid Ethyl Ester SCHEMBL2032729 0.79 TSHR (0.57) TSHRHPGDHCAR2ATMMAPT
SCHEMBL3361083 0.79 TSHR (0.61) TSHRHPGDHCAR2ATMMAPT
SCHEMBL887886 0.79 TSHR (0.61) TSHRHPGDHCAR2ATMMAPT

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-5997969-A Non-allergenic medical and health care devices made from crosslinked synthetic elastomers DYNAREX CORPORATION 1999-12-07 US disclosed