SCHEMBL10840558

SCHEMBL10840558

C=C(C)C(=O)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.C=C(C)C(=O)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.C=C(C)C(=O)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.C=C(CC)C(=O)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.42
▸ CA1 P00915 2/20 0.42
▸ VCAM1 P19320 11/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HPN P05981 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ ELANE P08246 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TYR P14679 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL10915251 0.94 CA2 (0.47) CA2CA1VCAM1LMNARECQL
SCHEMBL3193007 0.90 CA2 (0.52) CA2CA1VCAM1LMNARECQL
SCHEMBL11795086 0.86 CA2 (0.42) CA2CA1VCAM1LMNARECQL
SCHEMBL11800496 0.84 CA1 (0.41) CA2CA1VCAM1LMNARECQL
SCHEMBL11802937 0.82 CA1 (0.41) CA2CA1VCAM1LMNARECQL
SCHEMBL11797369 0.82 GAA (0.39) CA2CA1VCAM1LMNARECQL
SCHEMBL11807419 0.79 ELANE (0.36) CA2CA1VCAM1LMNARECQL
SCHEMBL28431407 0.78 VCAM1 (0.44) CA2CA1VCAM1LMNARECQL
SCHEMBL11800906 0.77 ELANE (0.37) CA2CA1VCAM1ALDH1A1GAA
SCHEMBL11800633 0.77 CNR1 (0.37) CA2CA1VCAM1GAAELANE

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-4624679-A Compositions containing antimicorbial agents in combination with stabilizers MORTON THIOKOL, INC. (US) 1986-11-25 — — US claimed
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