SCHEMBL20192106

SCHEMBL20192106

C=CC(=O)OCCOC[C@H]1C[C@@H]2C3CC=C[C@@H]3[C@@H]1[C@@H]2C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 2/20 0.35
HPGD P15428 1/20 0.31
CYP3A4 P08684 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
SCHEMBL27412060 0.83 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18495177 0.81 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18973516 0.78 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL20192093 0.76 TSHR (0.40) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL25156777 0.74 TSHR (0.40) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL19496663 0.74 TSHR (0.40) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL19496770 0.72 TSHR (0.37) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13005686 0.72 TSHR (0.36) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL23350787 0.69 TSHR (0.36) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18495178 0.69 POLB (0.31) 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-9981068-B2 Polymers which resist bacterial attachment THE UNIVERSITY OF NOTTINGHAM (GB) 2018-05-29 US disclosed