SCHEMBL7644158

SCHEMBL7644158

C=CC(=O)OC(CCC)CCS

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.39
HPGD P15428 1/20 0.39
CTSK P43235 1/20 0.37
THRB P10828 3/20 0.33
ALDH1A1 P00352 5/20 0.32
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.31
PRKCA P17252 1/20 0.30
PRKCD Q05655 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
SCHEMBL9545994 0.91 TSHR (0.45) TSHRHPGDCTSKTHRBALDH1A1
SCHEMBL2129127 0.84 TSHR (0.51) TSHRHPGDCTSKTHRBALDH1A1
SCHEMBL9326835 0.84 TSHR (0.40) TSHRHPGDCTSKTHRBALDH1A1
SCHEMBL1132293 0.83 TSHR (0.46) TSHRHPGDCTSKTHRBALDH1A1
SCHEMBL971960 0.81 TSHR (0.41) TSHRHPGDCTSKTHRBALDH1A1
SCHEMBL6046953 0.81 TSHR (0.41) TSHRHPGDCTSKTHRBALDH1A1
SCHEMBL11320347 0.81 TSHR (0.55) TSHRHPGDCTSKTHRBALDH1A1
SCHEMBL12520588 0.81 TSHR (0.42) TSHRHPGDCTSKTHRBALDH1A1
SCHEMBL11139873 0.81 TSHR (0.46) TSHRHPGDCTSKTHRBALDH1A1
SCHEMBL28756044 0.81 TSHR (0.46) TSHRHPGDCTSKTHRBALDH1A1

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-6444724-B1 SURFACE TREATMENT OF FILLER BIOMAT SCIENCES, INC. 2002-09-03 US disclosed