SCHEMBL13899372

SCHEMBL13899372

C=CC(=O)OCCOC(=O)NCC1COC(=O)OC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 1/20 0.37
THRB P10828 2/20 0.35
HPGD P15428 1/20 0.34
F13A1 P00488 1/20 0.30
TGM2 P21980 1/20 0.30
TGM1 P22735 1/20 0.30

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
SCHEMBL13899138 0.84 TSHR (0.35) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13899137 0.84 TSHR (0.38) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13899170 0.82 TSHR (0.35) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11513872 0.81 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13899179 0.79 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8737819 0.77 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18123361 0.77 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14008783 0.77 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18123366 0.74 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18123356 0.74 TSHR (0.49) TSHRALDH1A1TP53HIF1AHSD17B10

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-7498394-B2 (Meth)acrylic and (meth)acrylamide monomers, polymerizable compositions, and polymers obtained THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-03-03 US disclosed
US-7498394-B2 (Meth)acrylic and (meth)acrylamide monomers, polymerizable compositions, and polymers obtained THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-03-03 US disclosed