SCHEMBL4049818

SCHEMBL4049818

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nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.44
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.41
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL19127751 0.92 TSHR (0.50) PDE4ATSHRTP53CYP2C9ALDH1A1
SCHEMBL1832088 0.92 TSHR (0.50) PDE4ATSHRTP53CYP2C9ALDH1A1
SCHEMBL29709585 0.92 TSHR (0.50) PDE4ATSHRTP53CYP2C9ALDH1A1
SCHEMBL12904430 0.92 TSHR (0.50) PDE4ATSHRTP53CYP2C9ALDH1A1
SCHEMBL11059297 0.92 TSHR (0.50) PDE4ATSHRTP53CYP2C9ALDH1A1
SCHEMBL17887907 0.92 TSHR (0.50) PDE4ATSHRTP53CYP2C9ALDH1A1
SCHEMBL7148974 0.92 TSHR (0.50) PDE4ATSHRTP53CYP2C9ALDH1A1
SCHEMBL265598 0.92 TSHR (0.50) PDE4ATSHRTP53CYP2C9ALDH1A1
SCHEMBL28773455 0.90 PDE4A (0.48) PDE4ATSHRTP53CYP2C9ALDH1A1
SCHEMBL3700252 0.84 TSHR (0.53) PDE4ATSHRTP53CYP2C9ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009111915-A1 BROMIDE-FREE TEMPO-MEDIATED OXIDATION OF THE PRIMARY ALCOHOL IN CARBOHYDRATE UNDER TWO-PHASE CONDITIONS CHONGQING SHENGKAI SCIENCE & TECHNOLOGY CO., LTD. (CN) 2009-09-17 WO disclosed
EP-0780399-B1 Glucuronylarabinarates, process for their preparation and uses of these products ROQUETTE FRERES (FR) 2001-06-20 EP disclosed
EP-0780399-A2 Glucuronylarabinarates, process for their preparation and uses of these products Roquette Frˬres (FR) 1997-06-25 EP disclosed
US-5356880-A Glycyrrhetinic acid derivatives SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1994-10-18 US disclosed
EP-0518533-A1 Glycyrrhetinic acid derivatives and antiviral compositions thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1992-12-16 EP disclosed