SCHEMBL5249793

SCHEMBL5249793

CCCCNC(=O)OCC(C)=S

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.63
EPHX1 P07099 1/20 0.48
FAAH O00519 1/20 0.46
ALOX15 P16050 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
SCHEMBL8769659 0.81 ACHE (0.63) ACHEEPHX1FAAHALOX15
SCHEMBL10016930 0.81 ACHE (0.68) ACHEEPHX1FAAH
SCHEMBL10629902 0.81 ACHE (0.68) ACHEEPHX1
SCHEMBL5244945 0.80 CHRNB2 (0.42) ACHEEPHX1
SCHEMBL593415 0.78 ACHE (0.76) ACHEEPHX1ALOX15
SCHEMBL5246971 0.76 ACHE (0.72) ACHE
SCHEMBL8409260 0.76 ACHE (0.61) ACHEEPHX1ALOX15
Hexane SCHEMBL28986114 0.76 ACHE (0.73) ACHEEPHX1
Butane SCHEMBL28986117 0.76 ACHE (0.73) ACHEEPHX1ALOX15
SCHEMBL3975468 0.76 ACHE (0.88) ACHEEPHX1

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