SCHEMBL9843575

SCHEMBL9843575

CCOC(=O)OC[CH]OC(=O)OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SOAT1 P35610 1/20 0.39
LMNA P02545 3/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.31
ALOX15 P16050 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL15259621 0.80 ALDH1A1 (0.65) ALDH1A1SOAT1LMNAHSD17B10TSHR
SCHEMBL1891082 0.79 ALDH1A1 (0.46) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL187616 0.78
SCHEMBL5942568 0.77 PRKCA (0.39) TSHR
SCHEMBL312738 0.77 TSHR (0.39) LMNATSHR
SCHEMBL14781530 0.75 ALDH1A1 (0.56) ALDH1A1SOAT1LMNAHSD17B10TSHR
SCHEMBL18625581 0.74 ALDH1A1 (0.50) ALDH1A1SOAT1LMNAHSD17B10TSHR
SCHEMBL452058 0.73 LMNA (0.38) LMNATSHR
SCHEMBL11201836 0.73 ALDH1A1 (0.48) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL15259623 0.72 ALDH1A1 (0.59) ALDH1A1SOAT1LMNAHSD17B10TSHR

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-0421752-A2 Substituted acrylamido-penicillanic acid derivatives Beecham Group p.l.c. (GB) 1991-04-10 EP disclosed