SCHEMBL13199359

SCHEMBL13199359

CCCCCCCCCCCCCCCCCC(=O)CCCC[N+](C)(C)CC(O)C[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.49
DNM1 Q05193 2/20 0.47
CASP2 P42575 1/20 0.46
NAAA Q02083 1/20 0.44
PSMD14 O00487 1/20 0.43
PLA2G1B P04054 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MMP2 P08253 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
EPHX2 P34913 3/20 0.43
SLC6A5 Q9Y345 2/20 0.42

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
SCHEMBL10329406 0.95 FAAH (0.54) FAAHDNM1CASP2NAAAPSMD14
Hydrochloric Acid SCHEMBL30274291 0.91 FAAH (0.50) FAAHDNM1CASP2NAAAPSMD14
SCHEMBL10329413 0.90 FAAH (0.49) FAAHDNM1CASP2NAAAPSMD14
SCHEMBL17707881 0.89 FAAH (0.51) FAAHDNM1CASP2NAAAPSMD14
SCHEMBL29817227 0.88 FAAH (0.50) FAAHDNM1CASP2NAAAPSMD14
SCHEMBL20959426 0.88 FAAH (0.50) FAAHDNM1CASP2NAAAPSMD14
Hydrochloric Acid SCHEMBL29528833 0.87 FAAH (0.49) FAAHDNM1CASP2NAAAPSMD14
Hydrochloric Acid SCHEMBL15534882 0.87 FAAH (0.49) FAAHDNM1CASP2NAAAPSMD14
Hydrochloric Acid SCHEMBL15534461 0.87 FAAH (0.49) FAAHDNM1CASP2NAAAPSMD14
SCHEMBL10329420 0.87 FAAH (0.56) FAAHDNM1CASP2NAAAPSMD14

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
US-7772165-B2 Polycationic viscoelastic compositions STEPHAN COMPANY (US) 2010-08-10 US disclosed
US-20080248977-A1 Quaternary ammonium compounds with two cationic sites connected through a linker; hydraulic fluids, demulsifiers, foamers, organoclays, thickeners, biocides, and oil field fluids. STEPAN COMPANY 2008-10-09 US disclosed