SCHEMBL31348971

SCHEMBL31348971

CCCCCCCCCCCCCCNOS(=O)(=O)CCS(=O)(=O)ONCCCCCCCCCCCCCC.[Na]

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.44
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
EPHX1 P07099 6/20 0.40
FAAH O00519 2/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL31348932 1.00 PPARA (0.44) PPARACA2CA1EPHX1FAAH
SCHEMBL31348943 1.00 PPARA (0.44) PPARACA2CA1EPHX1FAAH
SCHEMBL28315394 0.92 PPARA (0.44) PPARACA2CA1EPHX1FAAH
SCHEMBL2597785 0.92 PPARA (0.44) PPARACA2CA1EPHX1FAAH
SCHEMBL28611800 0.92 PPARA (0.44) PPARACA2CA1EPHX1FAAH
SCHEMBL27761167 0.92 PPARA (0.44) PPARACA2CA1EPHX1FAAH
SCHEMBL28350946 0.92 PPARA (0.44) PPARACA2CA1EPHX1FAAH
SCHEMBL11801875 0.90 PPARA (0.41) PPARACA2CA1EPHX1FAAH
SCHEMBL27257137 0.88 FAAH (0.43) PPARACA2CA1EPHX1FAAH
SCHEMBL28325410 0.83 CA1 (0.43) PPARACA2CA1EPHX1FAAH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119591523-A Preparation method of dialdehyde gemini surfactant 天津工业大学 2025-03-11 CN disclosed
CN-119591523-A Preparation method of dialdehyde gemini surfactant 天津工业大学 2025-03-11 CN disclosed