SCHEMBL8524200

SCHEMBL8524200

CCCCCCCCCCCCNC(CCO)[N+](C)(C)C(CCO)(CCCS(=O)(=O)O)C(=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34

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
SCHEMBL1304102 0.87 CPT2 (0.38)
SCHEMBL8660433 0.84 CPT2 (0.33)
SCHEMBL127781 0.84 TP53 (0.32) EPHX2
SCHEMBL7558816 0.77
SCHEMBL11442881 0.77 EPHX2 (0.36) EPHX2
SCHEMBL11066179 0.75 CA2 (0.37)
SCHEMBL11128106 0.74 EPHX2 (0.38) EPHX2
SCHEMBL3830783 0.73 DNM1 (0.34) EPHX2
SCHEMBL2842390 0.73 APP (0.31)
SCHEMBL11133656 0.73

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-0948315-A1 CONDITIONING SHAMPOO COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-10-13 EP disclosed
EP-0859583-A1 CONDITIONING SHAMPOO COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-08-26 EP disclosed
WO-1998029094-A1 CONDITIONING SHAMPOO COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-07-09 WO disclosed
WO-1997014396-A1 CONDITIONING SHAMPOO COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-04-24 WO disclosed