SCHEMBL1361433

SCHEMBL1361433

CCN(CC)CCCO[Zr]OCCCN(CC)CC.CCOC(=O)CC(C)=O.CCOC(=O)CC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.41
GAA P10253 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
PAOX Q6QHF9 1/20 0.39
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
CYP2D6 P10635 3/20 0.36
CYP3A4 P08684 1/20 0.36
MAOB P27338 1/20 0.35
RET P07949 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TRPA1 O75762 1/20 0.35
SCN1A P35498 2/20 0.35
SCN2A Q99250 2/20 0.35
SCN3A Q9NY46 2/20 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
SCHEMBL10997462 0.84 RET (0.46) MGAMGAASIMGAM2PAOX
SCHEMBL1360600 0.84 MGAM (0.40) MGAMGAASIMGAM2PAOX
SCHEMBL453161 0.82 GAA (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28104335 0.79 FAAH (0.45) MGAMGAASIMGAM2PAOX
SCHEMBL2582234 0.79 GAA (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1360059 0.78 GAA (0.56) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10378039 0.77 CYP2D6 (0.44) MGAMGAASIMGAM2CHRM2
Water SCHEMBL28104106 0.76 GAA (0.70) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL28381987 0.75 NPSR1 (0.45) MGAMGAASIMGAM2CHRM2
Water SCHEMBL25369189 0.74 GAA (0.67) MGAMGAASIMGAM2ALDH1A1

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-8067508-B2 Compositions consisting of partially silyl-terminated polymers HENKEL AG & CO. KGAA (DE) 2011-11-29 US disclosed
US-20100081757-A1 COMPOSITIONS CONSISTING OF PARTIALLY SILYL-TERMINATED POLYMERS HENKEL AG & CO. KGAA (DE) 2010-04-01 US disclosed