Sugi Predict

Sugi Predict / Compounds / SCHEMBL8093699

SCHEMBL8093699

SCHEMBL8093699

CCCCCCCCCCCCCCCCS(=O)(=O)Cl.CCS(=O)(=O)Cl.O=S(=O)(Cl)CC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 5/20 0.46
▸ FAAH O00519 6/20 0.45
▸ CES2 O00748 2/20 0.42
▸ CA2 P00918 6/20 0.41
▸ EPHX1 P07099 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
SCHEMBL7730745 0.84 FAAH (0.54) CES1FAAHCES2CA2
SCHEMBL1114761 0.82 FAAH (0.56) CES1FAAHCES2CA2
SCHEMBL11411801 0.82 FAAH (0.56) CES1FAAHCES2CA2
SCHEMBL744300 0.82 FAAH (0.56) CES1FAAHCES2CA2
SCHEMBL9834817 0.82 FAAH (0.56) CES1FAAHCES2CA2
SCHEMBL743460 0.82 FAAH (0.56) CES1FAAHCES2CA2
SCHEMBL11381720 0.82 FAAH (0.56) CES1FAAHCES2CA2
SCHEMBL11719482 0.82 FAAH (0.56) CES1FAAHCES2CA2
SCHEMBL94158 0.82 FAAH (0.56) CES1FAAHCES2CA2
SCHEMBL741780 0.82 FAAH (0.56) CES1FAAHCES2CA2

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-0973936-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 2000-01-26 — — EP disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 — — WO disclosed
WO-1998008813-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 — — WO disclosed