SCHEMBL8914269

SCHEMBL8914269

CCCCCCCCCCCCCCCCS(=O)(=O)C(C(=O)Cl)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.49
FAAH O00519 5/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CES1 P23141 5/20 0.38
CES2 O00748 2/20 0.38

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
SCHEMBL8914952 0.84 CA2 (0.50) CA2FAAHCES1
SCHEMBL10655488 0.81 CA2 (0.52) CA2FAAHALDH1A1TSHRCES1
SCHEMBL7065831 0.76 CA2 (0.49) CA2FAAHALDH1A1TSHRCES1
SCHEMBL8778762 0.72 CA2 (0.59) CA2FAAHCES1CES2
SCHEMBL8778757 0.72 CA2 (0.59) CA2FAAHCES1CES2
SCHEMBL11458078 0.72 CA2 (0.59) CA2FAAHCES1CES2
SCHEMBL8778697 0.72 CA2 (0.59) CA2FAAHCES1CES2
SCHEMBL8778734 0.72 CA2 (0.59) CA2FAAHCES1CES2
SCHEMBL8778742 0.72 CA2 (0.59) CA2FAAHCES1CES2
SCHEMBL1911477 0.72 CA2 (0.63) CA2FAAHTSHRCES1CES2

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
US-5681690-A PHENOLIC DYE-FORMING COUPLER CONTAINING FLUORIDE IN SECOND POSITION AND SULFUR IN FIFTH POSITION EASTMAN KODAK COMPANY (US) 1997-10-28 US disclosed