SCHEMBL11326280

SCHEMBL11326280

COC(C(C)=O)C(C)OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 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
SCHEMBL10593758 0.84 SLC1A3 (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9626093 0.77 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10239103 0.76 TSHR (0.65) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9720211 0.76 TSHR (0.65) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17751390 0.76 TSHR (0.65) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL8953922 0.75 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL15116682 0.74
SCHEMBL13611203 0.74
SCHEMBL13039796 0.74 SLC1A3 (0.39) TSHRALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL1092938 0.73 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R

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-4252530-A USING A BASE AS DISCHARGE AGENT IN A DISCHARGE RESIST PASTE AND HEATING CASSELLA AKTIENGESELLSCHAFT (DE) 1981-02-24 US disclosed