SCHEMBL19444460

SCHEMBL19444460

O=C(O)C(c1ccc(O)cc1O)c1c(O)cccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.45
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ CA12 O43570 3/20 0.40
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ CA9 Q16790 3/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CES2 O00748 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ ALOX5 P09917 3/20 0.36

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
SCHEMBL19433127 0.94 TYR (0.41) TYRMEN1KMT2AUSP2GAA
SCHEMBL19444500 0.92 MEN1 (0.41) TYRMEN1KMT2AUSP2GAA
SCHEMBL19444459 0.85 TYR (0.48) TYRMEN1KMT2AUSP2GAA
SCHEMBL19444467 0.83 CA12 (0.42) TYRMEN1KMT2AUSP2GAA
SCHEMBL27965885 0.81 TYR (0.59) TYRMEN1KMT2AUSP2GAA
SCHEMBL19444291 0.80 TYR (0.44) TYRMEN1KMT2AUSP2GAA
SCHEMBL19444465 0.79 CA2 (0.48) MEN1KMT2AGAACA12CA1
SCHEMBL19444501 0.77 ACHE (0.37) MEN1KMT2AGAACA12CA1
SCHEMBL3453799 0.74 TYR (0.59) TYRMEN1KMT2AUSP2GAA
SCHEMBL19433106 0.73 TYR (0.39) TYRMEN1KMT2ACA12CA1

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-3228301-A1 HAIR SHAPING AGENT Kao Corporation (JP) 2017-10-11 — — EP disclosed
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