SCHEMBL7089488

SCHEMBL7089488

O=C(OCO)c1cc(O)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.71
CA1 P00915 6/20 0.71
CA2 P00918 6/20 0.71
CA7 P43166 6/20 0.71
CA9 Q16790 6/20 0.71
CA14 Q9ULX7 6/20 0.71
SERPINE1 P05121 1/20 0.55
ALOX5 P09917 1/20 0.53
PTGS2 P35354 1/20 0.53
EGFR P00533 6/20 0.48
TDP1 Q9NUW8 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
CHRNA7 P36544 1/20 0.42

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
SCHEMBL13286843 0.86 CA12 (0.73) CA12CA1CA2CA7CA9
SCHEMBL29457603 0.83 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL39259 0.83 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL12812207 0.82 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL23484371 0.81 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL24991263 0.81 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL3454263 0.80 CA12 (0.75) CA12CA1CA2CA7CA9
SCHEMBL7090236 0.80 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL2037369 0.80 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL344827 0.79 CA12 (0.70) CA12CA1CA2CA7CA9

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
WO-2003075882-A2 METHOD OF DEPIGMENTING SKIN AND HAIRS GHISALBERTI CARLO (BR) 2003-09-18 WO disclosed