SCHEMBL9006480

SCHEMBL9006480

CCOC(=O)C(C)(C)Sc1ccc(O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.49
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CA7 P43166 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ CA14 Q9ULX7 3/20 0.49
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ MIF P14174 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL5992403 0.88 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL3344926 0.78 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL3347843 0.77 TP53 (0.40) CA12CA1CA2CA7CA9
SCHEMBL10171688 0.75 POLB (0.44) TP53SMN1; SMN2TDP1ALDH1A1MEN1
SCHEMBL1464398 0.75 TSHR (0.48) TP53CNR2CYP3A4TDP1ALDH1A1
SCHEMBL12102156 0.75 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL3903094 0.74 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL1463530 0.74 PIN1 (0.44) TP53CYP3A4TDP1ALDH1A1MEN1
SCHEMBL10897815 0.73 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL9006558 0.73 CA12 (0.51) 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
EP-0623341-B1 Use of 4-thioresorcin derivatives in skin whitening cosmetic or dermopharmaceutical compositions OREAL (FR) 1996-10-16 — — EP claimed
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