SCHEMBL4183112

SCHEMBL4183112

CCCCCC(C(N)=O)C(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.50
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.43
ASAH1 Q13510 2/20 0.43
ACER2 Q5QJU3 1/20 0.43
ALOX5 P09917 1/20 0.42
NAAA Q02083 2/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL11862111 0.91 SOAT1 (0.46) MMEALDH1A1CNR2
SCHEMBL11862095 0.91 SOAT1 (0.46) MMEALDH1A1CNR2
SCHEMBL3631075 0.89 MME (0.52) MMEPOLBALOX5
SCHEMBL11593762 0.88 KDM4E (0.49) ALDH1A1CNR2
SCHEMBL11042231 0.88 HMGCR (0.44) MMEPOLBALDH1A1ASAH1ACER2
SCHEMBL7077499 0.87 MME (0.56) MMEPOLBALDH1A1ASAH1ACER2
SCHEMBL14637294 0.87 MMP9 (0.45) MMEALDH1A1
SCHEMBL14637806 0.85 ALOX5 (0.43) MMEALDH1A1ALOX5
SCHEMBL30776663 0.81 POLB (0.48) MMEPOLBALDH1A1ASAH1ACER2
SCHEMBL11864291 0.80 EPHX2 (0.46) ALDH1A1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009086835-A1 NOVEL CYANOGUANIDINES TOPOTARGET A/S (DK) 2009-07-16 WO disclosed