SCHEMBL4670985

SCHEMBL4670985

CC(S)C(=O)OCCCCO

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.42
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
NAAA Q02083 1/20 0.33
GAA P10253 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
EPHX1 P07099 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4671001 0.93 ACHE (0.35) ACHECYP4F2CYP4A11NAAAALDH1A1
SCHEMBL4449576 0.91 NAAA (0.38) ACHENAAARAD52NPSR1ALDH1A1
SCHEMBL4451896 0.89 NAAA (0.41) ACHENAAARAD52NPSR1ALDH1A1
SCHEMBL31091408 0.84 TSHR (0.39) ACHEALDH1A1TSHR
SCHEMBL6304922 0.84
SCHEMBL5830909 0.83 ALDH1A1 (0.43) ACHENAAARAD52NPSR1ALDH1A1
SCHEMBL4679281 0.83 NAAA (0.52) NAAARAD52NPSR1ALDH1A1EPHX1
SCHEMBL2532484 0.82 ACHE (0.44) ACHECYP4F2CYP4A11NAAAGAA
SCHEMBL625080 0.82 ACHE (0.40) ACHECYP4F2CYP4A11NAAAGAA
SCHEMBL1171440 0.81 ALDH1A1 (0.36) ACHEALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764438-B1 Composition for permanent waving of human hair containing the non-soapable components of an vegetable oil KPSS KAO GMBH (DE) 2008-11-05 EP disclosed
EP-0791350-B2 Composition for permanent waving of human hair KPSS KAO GMBH (DE) 2006-04-05 EP disclosed
EP-1155678-B1 Composition for permanent deformation of hair KPSS KAO GMBH (DE) 2006-03-01 EP disclosed
EP-0791350-B1 Composition for permanent waving of human hair GOLDWELL GMBH (DE) 2003-01-08 EP disclosed
EP-1155678-A1 Composition for permanent deformation of hair GOLDWELL GmbH (DE) 2001-11-21 EP disclosed
EP-0820757-B1 Composition for permanent waving of human hair GOLDWELL GMBH (DE) 1999-03-17 EP disclosed
EP-0820757-A1 Composition for permanent waving of human hair GOLDWELL GmbH (DE) 1998-01-28 EP disclosed
EP-0791350-A2 Composition for permanent waving of human hair GOLDWELL GmbH (DE) 1997-08-27 EP disclosed
EP-0764438-A2 Composition for permanent waving of human hair GOLDWELL GmbH (DE) 1997-03-26 EP disclosed