SCHEMBL9129261

SCHEMBL9129261

CCCCCCCCC(C(=O)OCC)c1cc(O)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
NAAA Q02083 1/20 0.43
HTT P42858 2/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
CYP3A4 P08684 3/20 0.40
ALDH2 P05091 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
ALOX5 P09917 1/20 0.40
MAPT P10636 1/20 0.40
TYR P14679 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8824081 0.85 NAAA (0.46) NAAAHTTCYSLTR2CYSLTR1CYP3A4
SCHEMBL3838229 0.85 NAAA (0.46) NAAAHTTCYSLTR2CYSLTR1CYP3A4
SCHEMBL3836152 0.85 NAAA (0.46) NAAAHTTCYSLTR2CYSLTR1CYP3A4
SCHEMBL5699327 0.80 ESR1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL2384369 0.80 ESR1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL5699294 0.80 ESR1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL5699336 0.80 ESR1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL2409788 0.80 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL4148827 0.79 HTT (0.42) CA12CA1CA2CA7CA9
SCHEMBL9513205 0.78 TYR (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5449518-A Bleaching, decoloring skin L'OREAL (FR) 1995-09-12 US claimed
US-5449518-A Bleaching, decoloring skin L'OREAL (FR) 1995-09-12 US disclosed