SCHEMBL11039746

SCHEMBL11039746

CCOC(=O)COP(C)(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 4/20 0.44
TRPA1 O75762 1/20 0.44
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 2/20 0.37
SOAT1 P35610 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NLRP3 Q96P20 2/20 0.36
KMT2A Q03164 1/20 0.36
GLA P06280 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35

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
SCHEMBL5944704 0.82 MGAM (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL19512090 0.80 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8683146 0.80 TSHR (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13537806 0.78 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10011216 0.77 ACHE (0.40) ALDH1A1TSHRCYP1A2LMNACA12
SCHEMBL5481711 0.77 TSHR (0.60) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6362087 0.76
SCHEMBL10011806 0.76 TSHR (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1873270 0.76 MGAM (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11038818 0.74 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1

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-0159528-A1 Tetrahydrofuranyl substituted prostaglandin analogs E.R. Squibb & Sons, Inc. (US) 1985-10-30 EP disclosed