SCHEMBL6950106

SCHEMBL6950106

CCC(C)OC(=O)C(Cc1ccc(Cl)c2occc12)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
PSMB5 P28074 3/20 0.33
PSMB8 P28062 2/20 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
SCHEMBL6950103 0.81 ALDH1A1 (0.38) MAPTPSMB5
Malonic Acid Diethyl Ester SCHEMBL8506948 0.76 ALDH1A1 (0.35) MAPTPSMB5
SCHEMBL9978729 0.76 CYP3A4 (0.46) MAPT
SCHEMBL2673397 0.75 MAPT (0.46) MAPT
SCHEMBL7387704 0.71 CTNNB1 (0.55) MAPT
SCHEMBL2672622 0.70 PPARG (0.47) MAPT
SCHEMBL6956656 0.69 CYP4F2 (0.46) MAPT
SCHEMBL11268815 0.68 ALDH1A1 (0.45) MAPT
SCHEMBL2386216 0.68 MAPT (0.46) MAPT
SCHEMBL4330321 0.68 MAPT (0.46) MAPT

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-0901483-B1 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LTD (GB) 2003-07-09 EP disclosed
US-5981572-A Benzofurans and benzopyrans as chronobiological agents GLAXO WELLCOME INC. (US) 1999-11-09 US disclosed
EP-0901483-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1999-03-17 EP disclosed
WO-1997043272-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1997-11-20 WO disclosed