SCHEMBL19720347

SCHEMBL19720347

CCC(CC(=O)OC1CC(C)(C)N(S)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ADRA1A P35348 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR3A P46098 1/20 0.31
KCNH2 Q12809 1/20 0.31
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 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
SCHEMBL15672479 0.94 GAA (0.39) GAAHTTCHRM2CHRM1CHRM3
SCHEMBL16790834 0.89 GAA (0.36) GAAHTTCHRM2CHRM1CHRM3
SCHEMBL19937260 0.88 GAA (0.35) GAAHTTCHRM2CHRM1CHRM3
SCHEMBL13554334 0.86 GAA (0.34) GAAHTTCHRM2CHRM1CHRM3
SCHEMBL16869880 0.86 GAA (0.34) GAAHTTCHRM2CHRM1CHRM3
SCHEMBL21675508 0.86 GAA (0.37) GAAHTTCYP2D6LMNA
SCHEMBL25805960 0.86 GAA (0.37) GAAHTTCYP2D6LMNA
SCHEMBL19884609 0.85 GAA (0.36) GAAHTTCYP2D6LMNA
SCHEMBL13554373 0.81 TSHR (0.33) GAACHRM2CHRM1CHRM3ADRA1A
SCHEMBL22538275 0.81 GAA (0.37) GAAHTTCHRM2CHRM1CHRM3

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-2855630-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2017-12-20 EP disclosed