SCHEMBL8958069

SCHEMBL8958069

CC(C)N(C(=O)C(=O)Cl)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL10871210 0.81 P2RX4 (0.33) ALDH1A1
SCHEMBL11786779 0.78 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL196002 0.75 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL584108 0.73 TP53 (0.35)
SCHEMBL7078801 0.71 ALOX5 (0.34)
SCHEMBL24117676 0.69 SLC7A5 (0.32)
SCHEMBL156098 0.69 TDP1 (0.36) ALDH1A1TSHR
SCHEMBL8439081 0.67 P2RX4 (0.33) ALDH1A1
SCHEMBL14036959 0.67
SCHEMBL5686235 0.67 TDP1 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103087022-B Oxalyl-substituted-3-aryltetronate compounds, and preparations and applications thereof UNIV NANKAI 2015-06-10 CN disclosed
CN-103087022-A Oxalyl-substituted-3-aryltetronate compounds, and preparations and applications thereof UNIV NANKAI 2013-05-08 CN disclosed
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