SCHEMBL7284643

SCHEMBL7284643

COc1cccc(C(OC)OC)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.43
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
ACHE P22303 2/20 0.42
ALDH1A1 P00352 3/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
GAA P10253 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SRC P12931 1/20 0.37
CA12 O43570 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37

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
SCHEMBL4183355 0.84 ERN1 (0.44) ERN1TLR2TLR1TLR6CA1
SCHEMBL170690 0.80 ERN1 (0.55) ERN1TLR2TLR1TLR6CA1
SCHEMBL18570190 0.79 ERN1 (0.35) ERN1ALDH1A1NFE2L2
SCHEMBL953118 0.77 ERN1 (0.48) ERN1TLR2TLR1TLR6CA1
SCHEMBL27685686 0.77 ERN1 (0.52) ERN1TLR2TLR1TLR6CA1
Bromomethane SCHEMBL28079811 0.77 ERN1 (0.52) ERN1TLR2TLR1TLR6CA1
SCHEMBL1918798 0.76 CA1 (0.57) CA1CA2ACHEALDH1A1CA12
SCHEMBL25182547 0.74 ERN1 (0.57) ERN1CA1CA2ACHEALDH1A1
SCHEMBL9686221 0.73 SMN1; SMN2 (0.45) CA1CA2ACHEALDH1A1GAA
SCHEMBL1028678 0.73 ERN1 (0.63) ERN1TLR2TLR1TLR6CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5252560-A Cyclic imide derivatives, compositions and use GLAXO INC. (US) 1993-10-12 US disclosed
EP-0520573-A1 Cyclic imide derivatives GLAXO INC. (US) 1992-12-30 EP disclosed