SCHEMBL7062196

SCHEMBL7062196

C#CCS(=O)(=O)CCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.40
NPC1 O15118 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
AGTR1 P30556 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FAAH O00519 5/20 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
SCHEMBL27885941 0.93 CA2 (0.48) CA2FAAHCES1CES2LYPLA1
SCHEMBL27885938 0.91 CA2 (0.52) CA2FAAHCES1CES2LYPLA1
SCHEMBL7063022 0.85
SCHEMBL3299514 0.85
SCHEMBL3298322 0.85 CA2 (0.31) CA2
SCHEMBL3302754 0.82 CA2 (0.34) CA2
SCHEMBL3303199 0.82 CA2 (0.34) CA2
SCHEMBL3298845 0.79
SCHEMBL28269755 0.78
SCHEMBL3411438 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379577-B1 CONTROLLING SOLAR RADIATION IN SAFETY GLASS LAMINATES SOLUTIA INC (US) 2004-08-25 EP claimed
CN-102856587-B Nonaqueous electrolyte solution for lithium secondary battery and lithium secondary battery using the same UBE INDUSTRIES 2015-06-17 CN disclosed
CN-102856587-A Nonaqueous electrolyte solution for lithium secondary battery and lithium secondary battery using the same UBE INDUSTRIES 2013-01-02 CN disclosed