SCHEMBL8958091

SCHEMBL8958091

CCC(=O)C(=O)N(C(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.32
FFAR3 O14843 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5686235 0.79 TDP1 (0.32) TDP1FFAR3ALDH1A1
SCHEMBL10871210 0.76 P2RX4 (0.33) ALDH1A1
SCHEMBL19388378 0.73
SCHEMBL4146905 0.72 ALDH1A1 (0.37) TDP1FFAR3ALDH1A1
SCHEMBL2321266 0.69
SCHEMBL584108 0.69 TP53 (0.35)
SCHEMBL11986377 0.69
SCHEMBL8958094 0.69 ALDH1A1 (0.40) ALDH1A1
SCHEMBL8958069 0.67 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7078801 0.67 ALOX5 (0.34) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469889-B1 (p-Carbonylaminophenyl)-sulphonyl-nitromethane derivatives ZENECA LTD (GB) 1996-01-17 EP disclosed
US-5189031-A Inhibitor of enzyme aldose reductase, useful in the treatment of certain peripheral effects of diabetes and galactosemia IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 US disclosed
US-5110808-A Aldose reductase inhibitors; peripheral effects of diabetes and galactosemia IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1992-05-05 US disclosed
EP-0469889-A1 (p-Carbonylaminophenyl)-sulphonyl-nitromethane derivatives ZENECA LIMITED (GB) 1992-02-05 EP disclosed