SCHEMBL5545964

SCHEMBL5545964

CC(C)CCOC(CC(C)C)CC(C)CCO

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
TRPA1 O75762 1/20 0.34
ESR1 P03372 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL5546973 0.81 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL28707676 0.79 TSHR (0.35) ALDH1A1ESR1CA12CA1CA2
SCHEMBL416054 0.78
SCHEMBL5541124 0.77 TSHR (0.37) CA12CA1CA2CA9
SCHEMBL809709 0.77 TSHR (0.33) ALDH1A1
SCHEMBL5548094 0.76
SCHEMBL5541059 0.76
SCHEMBL130260 0.73
SCHEMBL1911085 0.73
SCHEMBL2337711 0.72 TSHR (0.40) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070122741-A1 Resist protective coating material and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-05-31 US disclosed