SCHEMBL11530668

SCHEMBL11530668

CCC1(C)CC(OC(=O)c2ccccc2)C(C)C(C)(CC)N1CCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.36
GAA P10253 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
AGTR1 P30556 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.35
ALOX5 P09917 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL11530674 0.85 CACNA1A (0.33) KCNH2
SCHEMBL11536214 0.82 ABCB1 (0.38) ALDH1A1LMNASMN1; SMN2OPRM1OPRD1
SCHEMBL11533372 0.81 SCN1A (0.43) GAALMNASMN1; SMN2KCNH2
SCHEMBL11535558 0.80 TSHR (0.42) GAAKMT2AKCNH2
SCHEMBL11537693 0.78 KMT2A (0.43) MAOBMAOAGAAHTTALDH1A1
SCHEMBL6453784 0.78 GAA (0.48) MAOBMAOAGAAHTTALDH1A1
SCHEMBL11533448 0.77 THRB (0.37) GAAMEN1KMT2AKCNH2
SCHEMBL2958675 0.76 ALOX5 (0.44) MAOBMAOAGAAHTTALDH1A1
SCHEMBL11532899 0.76 GAA (0.41) GAAMEN1KMT2AKCNH2
SCHEMBL11536074 0.75 BCHE (0.39) GAAMEN1KMT2AKCNH2

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-4141883-A Stabilization of synthetic polymers by penta-or-hexa-substituted 4-piperidinol derivatives SANKYO COMPANY, LIMITED (JP) 1979-02-27 US disclosed
US-4075165-A 2,2,6,6-TETRA-SUBSTITUTED-4-PIPERIDINOL CIBA-GEIGY CORPORATION (US) 1978-02-21 US disclosed