SCHEMBL5249538

SCHEMBL5249538

CCCCNC(=O)OCCCCO

nearest known ligand 0.96

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.96
EPHX2 P34913 2/20 0.52
EPHX1 P07099 1/20 0.52

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
SCHEMBL5245046 0.98 ACHE (1.00) ACHEEPHX2EPHX1
SCHEMBL5248874 0.94 ACHE (0.86) ACHEEPHX2EPHX1
SCHEMBL13700681 0.93 ACHE (0.90) ACHEEPHX2EPHX1
SCHEMBL27051136 0.93 ACHE (0.90) ACHEEPHX2EPHX1
SCHEMBL14891267 0.93 ACHE (0.90) ACHEEPHX2EPHX1
SCHEMBL27051138 0.93 ACHE (0.90) ACHEEPHX2EPHX1
SCHEMBL8801572 0.93 ACHE (0.83) ACHEEPHX2EPHX1
SCHEMBL4734720 0.91 ACHE (0.87) ACHEEPHX2EPHX1
SCHEMBL10724300 0.91 ACHE (0.87) ACHEEPHX2EPHX1
SCHEMBL6984631 0.91 ACHE (0.87) ACHEEPHX2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101928313-A New ring-focus phosphate compounds and preparation method thereof UNIV BEIJING 2010-12-29 CN disclosed
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