SCHEMBL28014306

SCHEMBL28014306

CCCCCCCCCCCCCCCCNOC(=O)C(=O)ONCCCCCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 12/20 0.52
CASP2 P42575 1/20 0.47
CNR2 P34972 1/20 0.45
FAAH O00519 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
NAAA Q02083 1/20 0.44
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43

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
SCHEMBL28013640 1.00 EPHX1 (0.52) EPHX1CASP2CNR2FAAHZDHHC20
SCHEMBL2749483 0.98 EPHX1 (0.48) EPHX1CASP2CNR2FAAHZDHHC20
SCHEMBL27620783 0.91 ACHE (0.45) EPHX1CNR2
SCHEMBL28013642 0.90 EPHX1 (0.47) EPHX1CASP2CNR2FAAH
SCHEMBL28014308 0.90 EPHX1 (0.47) EPHX1CASP2CNR2FAAH
SCHEMBL27609770 0.90 EPHX1 (0.47) EPHX1CASP2CNR2FAAH
SCHEMBL28356569 0.86 EPHX1 (0.52) EPHX1CASP2CNR2FAAHZDHHC20
SCHEMBL28353159 0.86 EPHX1 (0.52) EPHX1CASP2CNR2FAAHZDHHC20
SCHEMBL29226170 0.86 EPHX1 (0.52) EPHX1CASP2CNR2FAAHZDHHC20
SCHEMBL16176196 0.86 TSHR (0.55) EPHX1CASP2CNR2FAAHZDHHC20

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-104588216-A Combined collector capable of increasing iron grade and decreasing silicon content and preparation method and application thereof UNIV SHANDONG JIANZHU 2015-05-06 CN disclosed