SCHEMBL9009679

SCHEMBL9009679

CCCCCS(=O)(=O)ON(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.43
CA2 P00918 15/20 0.39
CA1 P00915 9/20 0.35
CA9 Q16790 8/20 0.35
CA12 O43570 3/20 0.34
CA7 P43166 3/20 0.34
CA14 Q9ULX7 3/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34
CA5B Q9Y2D0 2/20 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
SCHEMBL3197392 0.98 FAAH (0.46) FAAHCA2CA1CA9CA12
SCHEMBL2923688 0.98 FAAH (0.46) FAAHCA2CA1CA9CA12
SCHEMBL3198868 0.98 FAAH (0.46) FAAHCA2CA1CA9CA12
SCHEMBL361796 0.98 FAAH (0.46) FAAHCA2CA1CA9CA12
SCHEMBL363336 0.93 HPGD (0.38) FAAHCA2CA1CA9CA12
SCHEMBL363399 0.83 CA1 (0.31) CA1
SCHEMBL9009667 0.78 KDM4E (0.32) CA2
SCHEMBL6469384 0.75 FAAH (0.50) FAAHCA2CA1CA9CA12
SCHEMBL1341402 0.75 FAAH (0.50) FAAHCA2CA1CA9CA12
Hexane SCHEMBL9117812 0.74 TP53 (0.39) FAAHCA2CA1CA9CA12

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
EP-0739334-A1 BIOMOLECULE SOLUBILISATION AGENTS CONSISTING OF NON-DETERGENT ZWITTERIONS, AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1996-10-30 EP claimed
WO-1995019339-A1 BIOMOLECULE SOLUBILISATION AGENTS CONSISTING OF NON-DETERGENT ZWITTERIONS, AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1995-07-20 WO claimed