SCHEMBL4654964

SCHEMBL4654964

CC1(C)CC(CCCOC(N)=O)CC(C)(C)N1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
GAA P10253 2/20 0.36
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
LMNA P02545 2/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
HTR1A P08908 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRNA7 P36544 1/20 0.34
NAAA Q02083 3/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 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
SCHEMBL28765303 0.84 CHRM2 (0.33) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL28765362 0.84 CHRM2 (0.33) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL28765300 0.84 CHRM2 (0.33) TSHRCHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL30845974 0.83 CHRM2 (0.32) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL9813582 0.81 CHRM2 (0.34) TSHRGAACHRM2CHRM4CHRM5
SCHEMBL9813845 0.76 NAAA (0.40) TSHRLMNANAAAALDH1A1
SCHEMBL8394625 0.75 EPHX1 (0.42) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL8163604 0.74 GAA (0.47) TSHRGAA
SCHEMBL28765218 0.73 NAAA (0.35) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL28765220 0.73 NAAA (0.35) TSHRCHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1993362-A1 STABILIZATION OF IODINE-CONTAINING BIOCIDES BY MEANS OF SPECIAL AZOLE COMPOUNDS Lanxess Deutschland GmbH & Co.KG (DE) 2008-11-26 EP disclosed
WO-2007101549-A1 STABILIZATION OF IODINE-CONTAINING BIOCIDES BY MEANS OF SPECIAL AZOLE COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2007-09-13 WO disclosed
WO-2004039877-A2 STABILISING AGENT MIXTURE BASF AKTIENGESELLSCHAFT (DE) 2004-05-13 WO disclosed