SCHEMBL7912920

SCHEMBL7912920

CCCCCCCCCCCCS(=O)(=O)NC(=N)CCCCC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
PTPN1 P18031 1/20 0.39
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
HSP90AA1 P07900 1/20 0.38
RELA Q04206 4/20 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
SCHEMBL4732709 0.79 HSP90AA1 (0.53) FAAHCES2CES1HSP90AA1
SCHEMBL4731984 0.79 HSP90AA1 (0.53) FAAHCES2CES1HSP90AA1
SCHEMBL4732400 0.79 HSP90AA1 (0.53) FAAHCES2CES1HSP90AA1
SCHEMBL7513999 0.77 PTPN1 (0.47) FAAHPTPN1CES2CES1
SCHEMBL6261696 0.77 RELA (0.40) FAAHSPHK2SPHK1PTPN1RELA
SCHEMBL14166663 0.76 HSP90AA1 (0.48) FAAHHSP90AA1
SCHEMBL8292803 0.76 HSP90AA1 (0.53) FAAHPTPN1CES2CES1HSP90AA1
SCHEMBL8292801 0.76 HSP90AA1 (0.53) FAAHPTPN1CES2CES1HSP90AA1
SCHEMBL4296201 0.75 FAAH (0.45) FAAHPTPN1CES2CES1
SCHEMBL4668386 0.75 FAAH (0.45) FAAHPTPN1CES2CES1

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-6211172-B1 ADHESION PREVENTION OF BACTERIA ON SHIP HULLS BUCKMAN LABORATORIES INTERNATIONAL, INC. 2001-04-03 US claimed