SCHEMBL5245754

SCHEMBL5245754

CCCCNCCOCCOCCOC(=O)NCCCC

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.73
EPHX1 P07099 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5247229 1.00 ACHE (0.73) ACHEEPHX1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5246582 0.92 ACHE (0.61) ACHEKDM4EALDH1A1SMN1; SMN2
SCHEMBL5250653 0.92 ACHE (0.71) ACHEEPHX1
SCHEMBL5246064 0.92 ACHE (0.71) ACHEEPHX1
SCHEMBL5246760 0.92 ACHE (0.61) ACHEKDM4EALDH1A1SMN1; SMN2
SCHEMBL5246533 0.90 ACHE (0.78) ACHEEPHX1
SCHEMBL13660365 0.88 ACHE (0.65) ACHEEPHX1
SCHEMBL9812806 0.88 ACHE (0.81) ACHEEPHX1
SCHEMBL5249155 0.87 ACHE (0.73) ACHEEPHX1
SCHEMBL5245194 0.87 ACHE (0.69) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379598-B1 UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS BASF AG (DE) 2007-09-12 EP disclosed
US-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed