SCHEMBL28040327

SCHEMBL28040327

CCCCCNC([O])C(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
EPHX1 P07099 10/20 0.39
ADH1B P00325 2/20 0.39
ADH1C P00326 2/20 0.39
ADH1A P07327 2/20 0.39
ADH7 P40394 2/20 0.39
ADH4 P08319 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARA Q07869 2/20 0.35
CASP2 P42575 1/20 0.34
TP53 P04637 1/20 0.34
DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL1935781 0.80
SCHEMBL7964969 0.78 EPHX1 (0.46) ALDH1A1TSHREPHX1ADH1BADH1C
Ethane SCHEMBL9452341 0.76 EPHX1 (0.44) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL23806554 0.75 TSHR (0.46) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL10551241 0.74 MEN1 (0.36) TSHREPHX1ADH1BADH1CADH1A
SCHEMBL987491 0.74
SCHEMBL11008729 0.73 EPHX1 (0.46) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL21105798 0.73 EPHX1 (0.46) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL22374575 0.73 EPHX1 (0.46) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL25654199 0.73 EPHX1 (0.46) ALDH1A1TSHREPHX1ADH1BADH1C

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
CN-105007740-A Method for controlling phytopathogenic filamentous fungi other than oomycetes NIPPON SODA CO 2015-10-28 CN disclosed