SCHEMBL7580357

SCHEMBL7580357

C=CCC(C)[N+](C)(C)C(C)(C(C)=O)C(=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.33

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
SCHEMBL278738 0.89 BBOX1 (0.33) BBOX1
Acetic Acid SCHEMBL6526415 0.78 BBOX1 (0.31) BBOX1
SCHEMBL609004 0.75 BBOX1 (0.31) BBOX1
SCHEMBL13726526 0.71
SCHEMBL4560419 0.70 BBOX1 (0.31) BBOX1
SCHEMBL437160 0.69 CYP2C19 (0.41)
SCHEMBL3477943 0.66 ALDH1A1 (0.35) BBOX1
SCHEMBL11023037 0.66 CA1 (0.35)
Acrylamide SCHEMBL2879989 0.66 ALDH1A1 (0.31)
Propionic Acid SCHEMBL10458035 0.66 BBOX1 (0.37) BBOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1076551-B1 COSMETIC PREPARATIONS IN THE FORM OF A STICK HENKEL KGAA (DE) 2002-07-31 EP disclosed
EP-1076551-A1 COSMETIC PREPARATIONS IN THE FORM OF A STICK Henkel Kommanditgesellschaft auf Aktien (DE) 2001-02-21 EP disclosed
EP-0967958-A1 BODY CLEANSING AGENT Henkel Kommanditgesellschaft auf Aktien (DE) 2000-01-05 EP disclosed
WO-1999059537-A1 COSMETIC PREPARATIONS IN THE FORM OF A STICK HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-11-25 WO disclosed
WO-1998040044-A1 BODY CLEANSING AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-09-17 WO disclosed