SCHEMBL14285752

SCHEMBL14285752

CC(C)OC(=O)C(=O)NC(CO)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
LMNA P02545 2/20 0.32
PRKCA P17252 1/20 0.32
ADRA1A P35348 1/20 0.32
PDE4D Q08499 1/20 0.32
CNR2 P34972 1/20 0.32
CNR1 P21554 2/20 0.31
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
PAX8 Q06710 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
SCHEMBL14602145 1.00 TGFBR1 (0.39) TGFBR1GAASMN1; SMN2TSHRCA1
SCHEMBL4330718 0.81 CNR1 (0.36) TGFBR1TSHRCA1CA2CA7
SCHEMBL12282666 0.80 CA1 (0.42) SMN1; SMN2TSHRCA1CA2CA7
SCHEMBL14285963 0.78 TGFBR1 (0.37) TGFBR1GAASMN1; SMN2TSHRCA1
SCHEMBL13815217 0.74 GAA (0.44) TGFBR1GAASMN1; SMN2TSHRCA1
SCHEMBL9557062 0.71 CA1 (0.44) TGFBR1SMN1; SMN2TSHRCA1CA2
SCHEMBL903800 0.71 CA1 (0.44) TGFBR1SMN1; SMN2TSHRCA1CA2
SCHEMBL1261511 0.70 CNR1 (0.39) TGFBR1TSHRCA1CA2CA7
SCHEMBL14350678 0.70 MAPT (0.42) TGFBR1SMN1; SMN2CA1CA2CA7
SCHEMBL1120240 0.70 CNR1 (0.39) TGFBR1TSHRCA1CA2CA7

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-1658298-B1 PHOSPHORUS-CONTAINING IMIDAZOLINES AND METAL COMPLEXES THEREOF SOLVIAS AG (CH) 2008-03-26 EP disclosed