SCHEMBL14028639

SCHEMBL14028639

C=CC(=O)OCOCCOCCOC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.61
ALDH1A1 P00352 4/20 0.61
TP53 P04637 3/20 0.61
HIF1A Q16665 3/20 0.61
HSD17B10 Q99714 1/20 0.61
THRB P10828 2/20 0.46
HPGD P15428 1/20 0.46
CYP3A4 P08684 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
CA2 P00918 1/20 0.31
ABCB11 O95342 1/20 0.31
ADRA2B P18089 1/20 0.31
OPRD1 P41143 1/20 0.31
SCN5A Q14524 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
SCHEMBL2120699 0.98 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1524233 0.88 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1317368 0.88 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL27290 0.88 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1524206 0.88 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL20276142 0.88 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1523809 0.88 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL864613 0.88 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9190024 0.88 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL20276156 0.88 TSHR (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432239-B2 Polyoxyalkylene compound and method for making CENTRAL MICHIGAN UNIVERSITY BOARD OF TRUSTEES (US) 2008-10-07 US disclosed