SCHEMBL5138296

SCHEMBL5138296

C=CC(=O)OCC=CN1C(=O)C=CC1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.38
ALDH1A1 P00352 5/20 0.36
HIF1A Q16665 4/20 0.36
TP53 P04637 3/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35
HPGD P15428 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
WRN Q14191 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 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
SCHEMBL5138735 0.75
SCHEMBL29417881 0.73 TSHR (0.54) TSHRALDH1A1HIF1ATP53CYP3A4
SCHEMBL19846628 0.73 TSHR (0.54) TSHRALDH1A1HIF1ATP53CYP3A4
SCHEMBL19620226 0.73 TSHR (0.54) TSHRALDH1A1HIF1ATP53CYP3A4
SCHEMBL8747671 0.73 ALDH1A1 (0.53) TSHRALDH1A1HIF1ATP53CYP3A4
SCHEMBL10030571 0.69 MGLL (0.50) TSHRALDH1A1HIF1ATP53CYP3A4
SCHEMBL9489321 0.69 TSHR (0.40) TSHRALDH1A1HIF1ATP53CYP3A4
SCHEMBL8734424 0.69 TSHR (0.35) TSHRALDH1A1HIF1ATP53CYP3A4
SCHEMBL10608809 0.68
SCHEMBL29156 0.68

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771521-A4 ENVIRONMENT -FRIENDLY POLLUTION-PROOF AGENT EXTRACTED FROM SARGASSUM UNIV SOONCHUNHYANG IND ACAD COOP FOUND (KR) 2008-02-20 EP disclosed
EP-1771521-A1 ENVIRONMENT -FRIENDLY POLLUTION-PROOF AGENT EXTRACTED FROM SARGASSUM Shin, Hyun Woung (KR) 2007-04-11 EP disclosed
EP-1765937-A1 ENVIRONMENT- FRIENDLY POLLUTION- PROOF AGENT Shin, Hyun Woung (KR) 2007-03-28 EP disclosed
WO-2005123850-A1 ENVIRONMENT- FRIENDLY POLLUTION- PROOF AGENT SHIN HYUN WOUNG (KR) 2005-12-29 WO disclosed
WO-2005123851-A1 ENVIRONMENT -FRIENDLY POLLUTION-PROOF AGENT EXTRACTED FROM SARGASSUM SHIN HYUN WOUNG (KR) 2005-12-29 WO disclosed