SCHEMBL11380841

SCHEMBL11380841

C=CCC(=O)C(C)OC(=O)C=C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.44
HPGD P15428 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6752742 0.78 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11382030 0.77 TSHR (0.41) TSHRALDH1A1
SCHEMBL5665734 0.76 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7541420 0.76 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5665729 0.76 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL630320 0.74 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28120112 0.74 HCAR2 (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL37396 0.74 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6368708 0.74 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2184214 0.74 TSHR (0.45) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4191838-A Acryloxy-alkylpropanals and methacryloxy-alkylpropanals BASF AKTIENGESELLSCHAFT (DE) 1980-03-04 US claimed
US-4267091-A COMPRIZING ACRYLIC COPOLYMER EMULSIONS, DIHYDRAZINE COMPOUNDS AND WATER SOLUBLE METAL SALTS BASF AKTIENGESELLSCHAFT (DE) 1981-05-12 US disclosed
US-4191838-A Acryloxy-alkylpropanals and methacryloxy-alkylpropanals BASF AKTIENGESELLSCHAFT (DE) 1980-03-04 US disclosed
US-4191838-A Acryloxy-alkylpropanals and methacryloxy-alkylpropanals BASF AKTIENGESELLSCHAFT (DE) 1980-03-04 US disclosed