SCHEMBL1360787

SCHEMBL1360787

CC(C)[Zr]C(C)C.CCOC(=O)CC(C)=O.CCOC(=O)CC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
MGAM O43451 2/20 0.54
SI P14410 2/20 0.54
MGAM2 Q2M2H8 2/20 0.54
ALDH1A1 P00352 4/20 0.40
TRPA1 O75762 1/20 0.40
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NLRP3 Q96P20 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
Water SCHEMBL28104106 0.87 GAA (0.70) GAAMGAMSIMGAM2ALDH1A1
Isopropyl Alcohol SCHEMBL17433507 0.86 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
Isopropyl Alcohol SCHEMBL4264567 0.85 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
Isopropyl Alcohol SCHEMBL4612528 0.85 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
Water SCHEMBL25369189 0.85 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
Water SCHEMBL28668202 0.85 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1330478 0.85
SCHEMBL1331762 0.85
SCHEMBL1871576 0.85 GAA (0.74) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1330988 0.85

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