SCHEMBL9698545

SCHEMBL9698545

CCCCCCCCCCCCC(C)C(=S)OCCOC(=S)C(C)CCCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.44
CA12 O43570 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
ACE2 Q9BYF1 1/20 0.40
FDPS P14324 4/20 0.39
DGKA P23743 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.39
LMNA P02545 1/20 0.39
FAAH O00519 1/20 0.38
OPRM1 P35372 1/20 0.37
SMPD1 P17405 2/20 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
SCHEMBL4350707 0.88 CA1 (0.44) CA1CA12CA2CA9ACE2
SCHEMBL11814745 0.86 CA1 (0.45) CA1CA12CA2CA9ACE2
SCHEMBL31142399 0.83 CA1 (0.40) CA1CA12CA2CA9ACE2
SCHEMBL560663 0.83 CA1 (0.40) CA1CA12CA2CA9ACE2
SCHEMBL1823283 0.83 CA1 (0.40) CA1CA12CA2CA9ACE2
SCHEMBL9577842 0.83 CA1 (0.40) CA1CA12CA2CA9ACE2
SCHEMBL7749017 0.83 CA1 (0.40) CA1CA12CA2CA9ACE2
SCHEMBL9696166 0.82 CA1 (0.39) CA1CA12CA2CA9ACE2
SCHEMBL11145853 0.82 CA1 (0.45) CA1ACE2FDPSSPHK1ZDHHC7
SCHEMBL9014431 0.82 CA1 (0.45) CA1ACE2FDPSSPHK1ZDHHC7

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
US-5164434-A Sulfide compound for thermal and/or oxidative stabilization of polymers ROHM AND HAAS COMPANY (US) 1992-11-17 US claimed
EP-0488550-A1 Thermal stabilizers ROHM AND HAAS COMPANY (US) 1992-06-03 EP claimed