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SCHEMBL19720331

SCHEMBL19720331

CC1(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.38
▸ HTT P42858 1/20 0.36
▸ CYP2D6 P10635 1/20 0.32
▸ LMNA P02545 1/20 0.31

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
SCHEMBL19884569 1.00 GAA (0.38) GAAHTTCYP2D6LMNA
SCHEMBL19720369 0.94 GAA (0.34) GAAHTT
SCHEMBL15686228 0.92 GAA (0.41) GAAHTTCYP2D6LMNA
SCHEMBL18472701 0.90 GAA (0.44) GAAHTT
SCHEMBL23486509 0.90 GAA (0.38) GAACYP2D6LMNA
SCHEMBL20428966 0.90 GAA (0.38) GAAHTTCYP2D6LMNA
SCHEMBL20925125 0.90 GAA (0.38) GAAHTTCYP2D6LMNA
SCHEMBL19027248 0.90 GAA (0.38) GAAHTTCYP2D6LMNA
SCHEMBL20821922 0.86 GAA (0.39) GAAHTTCYP2D6LMNA
SCHEMBL19884595 0.85 GAA (0.37) GAAHTTCYP2D6LMNA

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