SCHEMBL11043313

SCHEMBL11043313

C=C(Cl)C(=O)OC(C)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL1419983 0.82 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL23161038 0.82 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL987906 0.78 TSHR (0.65) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11802230 0.77
SCHEMBL4210062 0.77
SCHEMBL5986436 0.77 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL392490 0.77 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7177936 0.75 LMNA (0.42) TSHRALDH1A1
Acetaldehyde SCHEMBL27922021 0.75 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11810582 0.75

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-0015627-B1 MODIFIED MONOOLEFIN COPOLYMER ELASTOMER WITH IMPROVED HEAT AND OIL RESISTANCE UNIROYAL, INC. (US) 1984-08-08 EP disclosed