SCHEMBL7768310

SCHEMBL7768310

CCCCCCCC/C=C\CCCCCCCC[N+](C)(CCO)CCO.COS(=O)(=O)[O-]

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.40
DNM1 Q05193 2/20 0.40
FABP3 P05413 5/20 0.40
EPHX2 P34913 1/20 0.39
PSMD14 O00487 1/20 0.39
PLA2G1B P04054 1/20 0.39
MMP2 P08253 1/20 0.39
RAD52 P43351 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
FAAH O00519 2/20 0.38
CNR2 P34972 2/20 0.38
TRPV1 Q8NER1 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
SCHEMBL6673254 1.00 ENPP2 (0.40) ENPP2DNM1FABP3EPHX2PSMD14
SCHEMBL6668543 0.91 DNM1 (0.47) DNM1EPHX2PSMD14PLA2G1BMMP2
SCHEMBL2026336 0.91 DNM1 (0.47) DNM1EPHX2PSMD14PLA2G1BMMP2
SCHEMBL6672668 0.91 DNM1 (0.47) DNM1EPHX2PSMD14PLA2G1BMMP2
SCHEMBL6669104 0.91 DNM1 (0.47) DNM1EPHX2PSMD14PLA2G1BMMP2
SCHEMBL11292693 0.91 DNM1 (0.47) DNM1EPHX2PSMD14PLA2G1BMMP2
SCHEMBL2469815 0.90 DNM1 (0.46) DNM1EPHX2PSMD14PLA2G1BMMP2
SCHEMBL7797368 0.89 MEN1 (0.39) ENPP2EPHX2CNR2TRPV1
SCHEMBL5164968 0.89 MEN1 (0.39) ENPP2EPHX2CNR2TRPV1
SCHEMBL29040648 0.87 EPHX2 (0.43) EPHX2CNR2TRPV1

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
US-6245361-B1 APPLYING SURFACE AN AQUEOUS SOLUTION OF A SYNERGISTIC MIXTURE OF CHLORINE BLEACH AND BACTERICIDE S. C. JOHNSON COMMERCIAL MARKETS, INC. 2001-06-12 US disclosed
EP-0844827-B1 TUBERCULOCIDAL SYNERGISTIC DISINFECTANT COMPOSITIONS AND METHODS OF DISINFECTING JOHNSON S C COMM MARKETS INC (US) 1999-06-09 EP disclosed
EP-0844827-A1 TUBERCULOCIDAL SYNERGISTIC DISINFECTANT COMPOSITIONS AND METHODS OF DISINFECTING S.C. JOHNSON & SON, INC. (US) 1998-06-03 EP disclosed
WO-1997006689-A1 TUBERCULOCIDAL SYNERGISTIC DISINFECTANT COMPOSITIONS AND METHODS OF DISINFECTING S.C. JOHNSON & SON, INC. (US) 1997-02-27 WO disclosed