SCHEMBL11533427

SCHEMBL11533427

C=CC(=O)OCCOCCCCCCN=C=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.58
ALDH1A1 P00352 4/20 0.58
TP53 P04637 3/20 0.58
HIF1A Q16665 3/20 0.58
HSD17B10 Q99714 1/20 0.58
CYP3A4 P08684 2/20 0.53
THRB P10828 2/20 0.42
HPGD P15428 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.32
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
SCHEMBL20893290 1.00 TSHR (0.58) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL22052587 0.94 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21019102 0.94 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL321467 0.91 TSHR (0.66) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL5358179 0.91 TSHR (0.66) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10599659 0.91 TSHR (0.66) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1854743 0.91 TSHR (0.66) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL22609056 0.91 TSHR (0.66) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1701307 0.91 TSHR (0.66) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL5358883 0.91 TSHR (0.66) 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-4176212-A Radiation and moisture curable compositions and method of use Design Cote Corporation (US) 1979-11-27 US disclosed