SCHEMBL3662601

SCHEMBL3662601

CC(=O)CC(=O)C(c1ccc(O)cc1O)c1ccc(O)cc1O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.41
▸ TYR P14679 3/20 0.41
▸ HSP90AB1 P08238 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 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
SCHEMBL3662096 0.78 TYR (0.47) CES2TYRHSP90AB1CA12CA1
SCHEMBL13206600 0.77 TYR (0.42) TYRHSP90AB1ALDH1A1GFERCA12
SCHEMBL13206599 0.77 TYR (0.42) TYRHSP90AB1ALDH1A1GFERCA12
SCHEMBL3662538 0.76 ESR1 (0.47) ALDH1A1CA12CA1CA2CA7
SCHEMBL16836085 0.74 TYR (0.46) CES2TYRALDH1A1CA12CA1
SCHEMBL19444459 0.74 TYR (0.48) CES2TYRALDH1A1CA12CA1
SCHEMBL28861491 0.72 MAOB (0.45) TYRHSP90AB1CA12CA1CA2
SCHEMBL28218108 0.70 TTR (0.47) TYRGFER
SCHEMBL10404681 0.69 HSP90AB1 (0.47) CES2TYRHSP90AB1ALDH1A1CA12
SCHEMBL19444291 0.69 TYR (0.44) CES2TYRALDH1A1CA12CA1

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
EP-2219600-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. (US) 2010-08-25 — — EP disclosed
WO-2009067095-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. (US) 2009-05-28 — — WO disclosed
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