SCHEMBL1828273

SCHEMBL1828273

C1=CC=CC(C2=CCCCCCC2)=CC=C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL852228 1.00 TYMP (0.31) TYMPTDP1ALDH1A1CYP3A4
SCHEMBL122933 0.82
SCHEMBL11693170 0.78
SCHEMBL5567656 0.75
SCHEMBL2105114 0.72 TYMP (0.41) TYMPTDP1ALDH1A1CYP3A4
SCHEMBL18244171 0.72 TYMP (0.41) TYMPTDP1ALDH1A1CYP3A4
SCHEMBL3502363 0.72 TYMP (0.41) TYMPTDP1ALDH1A1CYP3A4
SCHEMBL21057468 0.72 TYMP (0.41) TYMPTDP1ALDH1A1CYP3A4
SCHEMBL3233362 0.72 TYMP (0.41) TYMPTDP1ALDH1A1CYP3A4
SCHEMBL18244172 0.72 TYMP (0.41) TYMPTDP1ALDH1A1CYP3A4

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
EP-1960479-B1 NON-AQUEOUS PIGMENT DISPERSIONS USING DISPERSION SYNERGISTS AGFA GRAPHICS NV (BE) 2011-05-04 EP disclosed