SCHEMBL10891795

SCHEMBL10891795

CCCCCS(=O)(=O)NC(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CA2 P00918 1/20 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
SCHEMBL9067217 1.00 FAAH (0.41) FAAHSMN1; SMN2SLC6A5ITGB3ITGA2B
SCHEMBL5122363 0.94 ITGB3 (0.40) FAAHSMN1; SMN2SLC6A5ITGB3ITGA2B
SCHEMBL5131032 0.94 ITGB3 (0.40) FAAHSMN1; SMN2SLC6A5ITGB3ITGA2B
SCHEMBL5122365 0.94 ITGB3 (0.40) FAAHSMN1; SMN2SLC6A5ITGB3ITGA2B
SCHEMBL7771214 0.81 PLA2G2A (0.50) SMN1; SMN2ACE2CA2
SCHEMBL7771220 0.81 PLA2G2A (0.50) SMN1; SMN2ACE2CA2
SCHEMBL2435695 0.80 ADAMTS4 (0.42) ACE2CA2
SCHEMBL29194944 0.78 HTT (0.34) FAAHSMN1; SMN2SLC6A5ITGB3ITGA2B
SCHEMBL8906669 0.78 CA2 (0.44) FAAHCA2
SCHEMBL6574037 0.78 CA1 (0.37) ITGB3ITGA2BCA2

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-4632931-A ANTICOAGULANTS, BRONCHODILATOR AGENTS E. R. SQUIBB & SONS, INC. (US) 1986-12-30 US disclosed