SCHEMBL9130850

SCHEMBL9130850

CCCCCCCC/C=C\CCCCCCCCC1=NCCN1CC(C)O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
FAAH O00519 1/20 0.34
CETP P11597 1/20 0.33

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
SCHEMBL9130857 1.00 EPHX2 (0.34) EPHX2FAAHCETP
SCHEMBL9240893 0.92 SCD (0.32)
SCHEMBL9130756 0.92 SCD (0.32)
SCHEMBL9133209 0.92 SCD (0.32)
SCHEMBL9130228 0.92 SCD (0.32)
SCHEMBL6673303 0.84 FAAH (0.36) FAAH
SCHEMBL8324251 0.84 FAAH (0.37) FAAH
SCHEMBL8324253 0.84 FAAH (0.37) FAAH
SCHEMBL28735052 0.82 FAAH (0.33) FAAH
Hydrochloric Acid SCHEMBL10792290 0.82 FAAH (0.36) FAAH

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
EP-0684223-A1 Solvent free quaternization of tertiary amines with dimethylsulfate HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-29 EP disclosed
US-5463094-A Solvent free quaternization of tertiary amines with dimethylsulfate HOECHST CELANESE CORPORATION (US) 1995-10-31 US disclosed