SCHEMBL1755541

SCHEMBL1755541

C=CC(=O)OCC(=C)CC(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.50
HPGD P15428 1/20 0.43
ALDH1A1 P00352 5/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 3/20 0.37
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10024382 0.84 TSHR (0.51) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9323591 0.79 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5457664 0.78 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL74390 0.75 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7949427 0.72 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4954357 0.72 TSHR (0.69) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10024376 0.71 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid SCHEMBL25315778 0.70 TSHR (0.67) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL7158442 0.70 TSHR (0.67) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1198386 0.70 TSHR (0.67) TSHRHPGDALDH1A1TP53HIF1A

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
EP-2441809-A1 ANTIFOULING COATING COMPOSITION, ANTIFOULING COATING FILM FORMED FROM THE COMPOSITION, COATED OBJECT HAVING THE COATING FILM ON SURFACE, AND METHOD OF ANTIFOULING TREATMENT BY FORMING THE COATING FILM Nitto Kasei Co., Ltd. (JP) 2012-04-18 EP disclosed