SCHEMBL1360600

SCHEMBL1360600

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.40
GAA P10253 2/20 0.40
SI P14410 2/20 0.40
MGAM2 Q2M2H8 2/20 0.40
PAOX Q6QHF9 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAOB P27338 1/20 0.35
RET P07949 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TRPA1 O75762 1/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
SCN1A P35498 2/20 0.34
SCN2A Q99250 2/20 0.34
SCN3A Q9NY46 2/20 0.34

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
SCHEMBL1361433 0.84 MGAM (0.41) MGAMGAASIMGAM2PAOX
SCHEMBL426390 0.83 GAA (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10997462 0.82 RET (0.46) MGAMGAASIMGAM2PAOX
SCHEMBL429341 0.79 GAA (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28104335 0.78 FAAH (0.45) MGAMGAASIMGAM2PAOX
SCHEMBL13372741 0.78 GAA (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1361295 0.77 GAA (0.56) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10378039 0.76 CYP2D6 (0.44) MGAMGAASIMGAM2CYP2D6
Hydrochloric Acid SCHEMBL28381987 0.74 NPSR1 (0.45) MGAMGAASIMGAM2CYP2D6
SCHEMBL1331762 0.73

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