SCHEMBL7644785

SCHEMBL7644785

C=CC(=O)OCC(CCCCS)OC(=O)C=C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.44
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.35
FOLH1 Q04609 2/20 0.31

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
SCHEMBL8453775 0.85 TSHR (0.58) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL12702085 0.84 TSHR (0.61) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL12701651 0.83 TSHR (0.55) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL29670983 0.83 TSHR (0.56) TSHRALDH1A1CYP3A4HPGD
SCHEMBL12701673 0.83 TSHR (0.47) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL29670992 0.83 TSHR (0.56) TSHRALDH1A1CYP3A4HPGD
SCHEMBL12702116 0.83 TSHR (0.47) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL12702118 0.83 TSHR (0.47) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL6558984 0.83 TSHR (0.56) TSHRALDH1A1CYP3A4HPGD
SCHEMBL29670997 0.83 TSHR (0.56) TSHRALDH1A1CYP3A4HPGD

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