SCHEMBL221646

SCHEMBL221646

C=C(CCCOC(C)C)C(=O)O.C=C(CCCOCCCC)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
RARB P10826 1/20 0.35
LMNA P02545 2/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR3 Q9UBY5 2/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G4B P0C869 1/20 0.33
TLR2 O60603 1/20 0.33
CYP3A4 P08684 1/20 0.33
EPHX2 P34913 1/20 0.32

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
SCHEMBL2965589 0.89 EPHX2 (0.39) TSHRLMNAKDM4EALDH1A1EPHX2
SCHEMBL125262 0.88 TSHR (0.45) TSHRRARBMAPTALDH1A1PLA2G4B
SCHEMBL303098 0.88 ALDH1A1 (0.40) TSHRLMNAKDM4EALDH1A1
SCHEMBL985177 0.87 TSHR (0.43) TSHRRARBMAPTALDH1A1PLA2G4B
SCHEMBL8503701 0.85 ALDH1A1 (0.34) TSHRLMNAALDH1A1PLA2G4B
SCHEMBL5830403 0.83 CES2 (0.46) TSHRMAPTHSD17B10ALDH1A1PLA2G4B
SCHEMBL6273168 0.83 TSHR (0.43) TSHRMAPTHSD17B10ALDH1A1PLA2G4B
SCHEMBL7531172 0.82 THRB (0.41) TSHRRARBMAPTKDM4EALDH1A1
SCHEMBL5386601 0.82 CES2 (0.48) TSHRMAPTHSD17B10ALDH1A1PLA2G4B
SCHEMBL871679 0.82 CES2 (0.44) TSHRMAPTHSD17B10ALDH1A1PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088875-B2 (Meth)acrylate, polymer and resist composition MITSUBISHI RAYON CO., LTD. (JP) 2012-01-03 US disclosed
US-20080003529-A1 (Meth)Acrylate, Polymer and Resist Composition MITSUBISHI RAYON CO., LTD. (JP) 2008-01-03 US disclosed