SCHEMBL30949869

SCHEMBL30949869

CCCCCCCCCCCCCCN(CCCS(=O)(=O)O)CCCS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
KDM5A P29375 2/20 0.41
PHF8 Q9UPP1 2/20 0.41
MCHR1 Q99705 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
FAAH O00519 2/20 0.40
DNM1 Q05193 3/20 0.39
CA2 P00918 4/20 0.38
CA1 P00915 3/20 0.38
ICMT O60725 1/20 0.38
ALB P02768 1/20 0.38
APP P05067 1/20 0.38
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
PPARA Q07869 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL30949863 1.00 EPHX2 (0.44) EPHX2KDM5APHF8MCHR1KDM4C
SCHEMBL16316707 1.00 EPHX2 (0.44) EPHX2KDM5APHF8MCHR1KDM4C
SCHEMBL30949857 1.00 EPHX2 (0.44) EPHX2KDM5APHF8MCHR1KDM4C
SCHEMBL30949867 1.00 EPHX2 (0.44) EPHX2KDM5APHF8MCHR1KDM4C
SCHEMBL8816521 1.00 EPHX2 (0.44) EPHX2KDM5APHF8MCHR1KDM4C
SCHEMBL23927815 0.92 KDM5A (0.41) EPHX2KDM5APHF8MCHR1KDM4C
SCHEMBL11422107 0.92 KDM5A (0.41) EPHX2KDM5APHF8MCHR1KDM4C
SCHEMBL23001182 0.92 KDM5A (0.41) EPHX2KDM5APHF8MCHR1KDM4C
SCHEMBL23001173 0.92 KDM5A (0.41) EPHX2KDM5APHF8MCHR1KDM4C
SCHEMBL14750206 0.91 APP (0.41) EPHX2KDM5APHF8KDM4CFAAH

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-115925587-B Tertiary amine dianion type surfactant and preparation method and application thereof 山东大学 2024-07-02 CN disclosed