SCHEMBL5835931

SCHEMBL5835931

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.46
GAA P10253 2/20 0.46
SI P14410 2/20 0.46
MGAM2 Q2M2H8 2/20 0.46
HCAR2 Q8TDS4 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 2/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
TRPA1 O75762 1/20 0.38
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.36
SOAT1 P35610 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL293240 0.86 GAA (0.50) MGAMGAASIMGAM2HCAR2
SCHEMBL11066780 0.83 GAA (0.52) MGAMGAASIMGAM2HCAR2
SCHEMBL329216 0.81 TSHR (0.46) MGAMGAASIMGAM2HCAR2
SCHEMBL13405605 0.79 MAPT (0.50) MGAMGAASIMGAM2HCAR2
SCHEMBL7742892 0.79 TSHR (0.46) MGAMGAASIMGAM2HCAR2
SCHEMBL31568721 0.78 GAA (0.52) MGAMGAASIMGAM2HCAR2
SCHEMBL8806710 0.78 HCAR2 (0.39) MGAMGAASIMGAM2HCAR2
SCHEMBL15283301 0.77 HCAR2 (0.52) MGAMGAASIMGAM2HCAR2
SCHEMBL9097047 0.76 TSHR (0.50) MGAMGAASIMGAM2HCAR2
SCHEMBL3510521 0.76 ALOX15 (0.48) MGAMGAASIMGAM2HCAR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026020-B2 Mixture of polar compounds; positive dielectric anisotropy; electrooptic display MERCK PATENT GMBH (DE) 2006-04-11 US disclosed
US-20040251447-A1 Mixture of polar compounds; positive dielectric anisotropy; electrooptic display HECKMEIER MICHAEL (DE) 2004-12-16 US disclosed
EP-1443362-A2 Resist composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-08-04 EP disclosed