SCHEMBL6285470

SCHEMBL6285470

CCCCNCC(C)(C)COC(=O)NCC

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.46
TSHR P16473 1/20 0.35
EPHX1 P07099 1/20 0.35
ALOX15 P16050 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 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
SCHEMBL5247492 0.92 ACHE (0.56) ACHEEPHX1ALOX15
SCHEMBL5247798 0.89 ACHE (0.47) ACHETSHREPHX1
SCHEMBL5247096 0.88 ACHE (0.54) ACHEEPHX1ALOX15
SCHEMBL5250402 0.86 EPHX1 (0.46) ACHETSHREPHX1CHRNB2CHRNA4
SCHEMBL5247208 0.86 ACHE (0.47) ACHETSHREPHX1ALOX15
SCHEMBL5246562 0.85 CHRNB2 (0.38) ACHETSHREPHX1CHRNB2CHRNB4
SCHEMBL5246483 0.83 ACHE (0.45) ACHETSHREPHX1ALOX15
SCHEMBL5248355 0.83 ACHE (0.56) ACHEEPHX1ALOX15
SCHEMBL6290258 0.81 LMNA (0.47) ACHETSHRALOX15
SCHEMBL5249829 0.79 ACHE (0.56) ACHEEPHX1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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