SCHEMBL10119569

SCHEMBL10119569

CC(=O)Nc1ccc(OC2OC(COC(C)=O)[C@@H](O)C(O)C2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.46
▸ TYR P14679 1/20 0.46
▸ SLC5A1 P13866 3/20 0.46
▸ SLC5A2 P31639 3/20 0.46

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
SCHEMBL10108864 1.00 ALDH1A1 (0.49) ALDH1A1LMNAPOLBTDP1TYR
SCHEMBL15198140 1.00 ALDH1A1 (0.49) ALDH1A1LMNAPOLBTDP1TYR
SCHEMBL15198316 1.00 ALDH1A1 (0.49) ALDH1A1LMNAPOLBTDP1TYR
SCHEMBL10102901 0.90 SLC5A1 (0.48) ALDH1A1TDP1TYRSLC5A1SLC5A2
SCHEMBL10102863 0.90 SLC5A1 (0.48) ALDH1A1TDP1TYRSLC5A1SLC5A2
SCHEMBL10108880 0.90 SLC5A1 (0.48) ALDH1A1TDP1TYRSLC5A1SLC5A2
SCHEMBL10109474 0.89 LMNA (0.58) ALDH1A1LMNAPOLB
SCHEMBL15198269 0.89 LMNA (0.58) ALDH1A1LMNAPOLB
SCHEMBL15700845 0.89 LMNA (0.58) ALDH1A1LMNAPOLB
SCHEMBL10102899 0.88 SLC5A1 (0.43) ALDH1A1LMNATDP1TYRSLC5A1

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
WO-2012012339-A2 GLYCOSYLATED ACETAMINOPHEN PRO-DRUG ANALOGS NuTek Pharma Ltd. (US) 2012-01-26 — — WO disclosed
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