SCHEMBL5326403

SCHEMBL5326403

CCCCCC(C)C(=CC(N)=O)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.48
ACE2 Q9BYF1 1/20 0.41
TP53 P04637 1/20 0.39
OPRM1 P35372 1/20 0.38
FDPS P14324 4/20 0.37
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
GPR84 Q9NQS5 3/20 0.36
CA2 P00918 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
NFKB1 P19838 1/20 0.36
EPHX1 P07099 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL11292274 0.79 ACE2 (0.46) CA1ACE2TP53FDPSFFAR1
SCHEMBL4560632 0.75 CA1 (0.57) CA1ACE2TP53OPRM1FDPS
SCHEMBL26966440 0.74 CA2 (0.38) CA1TP53FFAR1GPR84CA2
SCHEMBL1827755 0.74 CA1 (0.61) CA1ACE2TP53OPRM1FDPS
SCHEMBL1827758 0.74 CA1 (0.61) CA1ACE2TP53OPRM1FDPS
SCHEMBL122044 0.74 CA1 (0.61) CA1ACE2TP53OPRM1FDPS
SCHEMBL13191106 0.73 CA1 (0.50) CA1ACE2FDPSFFAR1FFAR4
SCHEMBL5083584 0.73 CA1 (0.50) CA1ACE2FDPSFFAR1FFAR4
SCHEMBL23857835 0.72 CA1 (0.59) CA1ACE2TP53OPRM1FDPS
SCHEMBL8197428 0.72 CA1 (0.59) CA1ACE2TP53OPRM1FDPS

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
WO-2007126775-A2 COMPOSITIONS AND METHODS FOR MAKING AND USING ACYCLIC N-HALAMINE-BASED BIOCIDAL POLYMERIC MATERIALS AND ARTICLES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-08 WO disclosed
US-6710024-B2 Washing active preparation BASF AKTIENGESELLSCHAFT (DE) 2004-03-23 US disclosed
US-20030109414-A1 Washing active preparation BASF AKTIENGESELLSCHAFT (DE) 2003-06-12 US disclosed