SCHEMBL11530973

SCHEMBL11530973

CCOCN1C(C)(CC)CC(OC(=O)c2ccccc2)C(C)C1(C)CC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
TSHR P16473 2/20 0.39
KCNH2 Q12809 1/20 0.38
KMT2A Q03164 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
MEN1 O00255 1/20 0.35
BCHE P06276 1/20 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
SCHEMBL11534640 0.86 GAA (0.41) GAATSHRKMT2ACHRM2CHRM4
SCHEMBL11532899 0.86 GAA (0.41) GAATSHRKCNH2KMT2ACHRM2
SCHEMBL11533858 0.85 KCNH2 (0.41) GAATSHRKCNH2
SCHEMBL11530463 0.85 GAA (0.40) GAATSHRKCNH2CHRM2CHRM4
SCHEMBL11533372 0.84 SCN1A (0.43) GAATSHRKCNH2CHRM2CHRM4
SCHEMBL11532259 0.84 GAA (0.39) GAATSHRKCNH2KMT2ACHRM2
SCHEMBL11536074 0.83 BCHE (0.39) GAAKCNH2KMT2ACHRM2CHRM4
SCHEMBL11539244 0.83 BCHE (0.40) GAATSHRKCNH2KMT2ACHRM2
SCHEMBL11533225 0.83 GAA (0.44) GAATSHRKCNH2KMT2ACHRM2
SCHEMBL11534823 0.83 GAA (0.44) GAATSHRKCNH2KMT2ACHRM2

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
US-4141883-A Stabilization of synthetic polymers by penta-or-hexa-substituted 4-piperidinol derivatives SANKYO COMPANY, LIMITED (JP) 1979-02-27 US disclosed