SCHEMBL8765345

SCHEMBL8765345

C=C(COOC(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 5/20 0.42
TET3 O43151 1/20 0.31
TET1 Q8NFU7 1/20 0.31
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
GRM1 Q13255 1/20 0.30
GRM2 Q14416 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL8048756 0.79 ALDH1A1 (0.38) TET2ALDH1A1
Bicarbonate SCHEMBL9752520 0.78 ALDH1A1 (0.31) HSD17B10ALDH1A1TSHRTDP1
SCHEMBL9066247 0.77 TSHR (0.32) HSD17B10ALDH1A1TSHRTDP1
SCHEMBL28694979 0.77 TET2 (0.45) TET2TET3TET1HSD17B10ALDH1A1
SCHEMBL543679 0.77 TSHR (0.38) HSD17B10ALDH1A1TSHRTDP1
SCHEMBL27814091 0.77 TSHR (0.35) TSHRTDP1
SCHEMBL7797285 0.76 ALDH1A1 (0.40) HSD17B10ALDH1A1TSHRALOX15
SCHEMBL9240470 0.72 TET2 (0.50) TET2TET3TET1TSHRTDP1
SCHEMBL9444022 0.72 GRIK1 (0.35) GRIK1GRIK2
SCHEMBL8931135 0.72 GRIK1 (0.41) GRIK1GRIK2

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
EP-0500575-B1 CONTROL OF MOLECULAR WEIGHT AND END GROUP FUNCTIONALITY IN POLYMERS USING UNSATURATED PEROXY COMPOUNDS AS CHAIN TRANSFER AGENTS COMMW SCIENT IND RES ORG (AU) 1997-06-11 EP claimed