SCHEMBL8040639

SCHEMBL8040639

CCCCCC(O)C[N+](C)(C)CC(O)CCCCC

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 2/20 0.69
PLA2G1B P04054 2/20 0.69
MMP2 P08253 2/20 0.69
ATG4B Q9Y4P1 2/20 0.69
HSP90AA1 P07900 1/20 0.69
RAD52 P43351 1/20 0.63
GPR84 Q9NQS5 8/20 0.52
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 1/20 0.50
NFKB1 P19838 1/20 0.48
FDPS P14324 3/20 0.41
TRPA1 O75762 1/20 0.41
DDAH1 O94760 1/20 0.41
GAPDH P04406 1/20 0.41
MAPT P10636 1/20 0.41
FAAH O00519 1/20 0.41

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
Hydrochloric Acid SCHEMBL45756 1.00 PSMD14 (0.69) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
Hydrochloric Acid SCHEMBL2912562 0.98 PSMD14 (0.72) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
Hydrochloric Acid SCHEMBL11227182 0.98 PSMD14 (0.72) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
Hydrochloric Acid SCHEMBL11215399 0.98 PSMD14 (0.72) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
Hydrochloric Acid SCHEMBL11875761 0.98 PSMD14 (0.72) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
Hydrochloric Acid SCHEMBL11595988 0.90 PLA2G1B (0.74) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
Hydrochloric Acid SCHEMBL11527519 0.90 PLA2G1B (0.74) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
Hydrochloric Acid SCHEMBL11596806 0.90 PLA2G1B (0.74) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
Hydrochloric Acid SCHEMBL27937629 0.90 PLA2G1B (0.74) PSMD14PLA2G1BMMP2ATG4BHSP90AA1
Hydrochloric Acid SCHEMBL28668483 0.90 PLA2G1B (0.74) PSMD14PLA2G1BMMP2ATG4BHSP90AA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0989895-A1 PROCESS FOR IMPROVING THE ODOR OF COMMERCIAL SOLVENT USED IN FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-04-05 EP disclosed
WO-1998057721-A1 PROCESS FOR IMPROVING THE ODOR OF COMMERCIAL SOLVENT USED IN FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-12-23 WO disclosed
EP-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP disclosed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed