SCHEMBL28030870

SCHEMBL28030870

CC(C)(C)C(C=O)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 4/20 0.34
ADH1A P07327 4/20 0.34
ADH1B P00325 3/20 0.34
ADH4 P08319 1/20 0.34
SHBG P04278 1/20 0.34
EPHX1 P07099 2/20 0.32
ADH7 P40394 1/20 0.31

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
SCHEMBL8156402 0.79 SHBG (0.39) ADH1CADH1AADH1BADH4SHBG
SCHEMBL9011784 0.74 ADH1B (0.32) ADH1CADH1AADH1BADH4ADH7
SCHEMBL2375473 0.71 TUBB1 (0.39) EPHX1
SCHEMBL12806468 0.70 ADH1A (0.39) ADH1CADH1AADH1BADH4SHBG
SCHEMBL1302104 0.69 ADH1A (0.41) ADH1CADH1AADH1BADH4SHBG
SCHEMBL21114234 0.69 ADH1A (0.41) ADH1CADH1AADH1BADH4SHBG
SCHEMBL21114300 0.69 ADH1A (0.41) ADH1CADH1AADH1BADH4SHBG
SCHEMBL21114321 0.69 ADH1A (0.41) ADH1CADH1AADH1BADH4SHBG
SCHEMBL21114287 0.69 ADH1A (0.41) ADH1CADH1AADH1BADH4SHBG
SCHEMBL12216593 0.69 ADH1A (0.41) ADH1CADH1AADH1BADH4SHBG

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
CN-103450141-B A kind of Benzofurantone compound, its preparation method and application thereof SHANDONG LUKANG SHELILE PHARMACEUTICAL CO., LTD. (CN) 2015-08-26 CN claimed
CN-105801545-A Preparation method of benzopyrone derivative 叶芳 2016-07-27 CN disclosed
CN-103450141-B A kind of Benzofurantone compound, its preparation method and application thereof SHANDONG LUKANG SHELILE PHARMACEUTICAL CO., LTD. (CN) 2015-08-26 CN disclosed
CN-103450141-B A kind of Benzofurantone compound, its preparation method and application thereof SHANDONG LUKANG SHELILE PHARMACEUTICAL CO., LTD. (CN) 2015-08-26 CN disclosed