SCHEMBL8830716

SCHEMBL8830716

C=CC([O])(CCCOCC1CO1)OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL13864102 0.80 TSHR (0.50) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL4802643 0.79 TSHR (0.49) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL9565660 0.77 ALDH1A1 (0.37) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL13864091 0.74 TSHR (0.49) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL4805790 0.74 TSHR (0.42) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL4810528 0.72 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL4809586 0.72 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL15467643 0.71 TSHR (0.64) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL12577486 0.71 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
Acrylic Acid SCHEMBL5014743 0.71 TSHR (0.64) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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-5658629-A BASE LAYER HAVING ONE SIDE IMPERVIOUS TO WATER VAPOR AND SILICONE MIGRATION AND SECOND SIDE PERMEABLE TO WATER VAPOR MORGAN ADHESIVES COMPANY (US) 1997-08-19 US disclosed