SCHEMBL7716608

SCHEMBL7716608

C=CC(=O)OCCOC(=O)C=C.O=CC1CO1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.53
ALDH1A1 P00352 5/20 0.53
TP53 P04637 4/20 0.53
HIF1A Q16665 3/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP3A4 P08684 3/20 0.48
HPGD P15428 1/20 0.44
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL672435 0.79 TSHR (0.60) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21059523 0.78 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8016688 0.77 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL7942010 0.77 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL93462 0.77 TSHR (0.84) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30604742 0.77 TSHR (0.84) TSHRALDH1A1TP53HIF1AHSD17B10
Acrylic Acid SCHEMBL1071220 0.76 LMNA (0.48) HSD17B10TDP1
SCHEMBL301371 0.76 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
Ethylene SCHEMBL1165263 0.75 TSHR (0.80) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10508670 0.75 TSHR (0.80) 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-6390164-B1 BUTYL RUBBER BLEND THE GOODYEAR TIRE & RUBBER COMPANY 2002-05-21 US claimed