SCHEMBL6676900

SCHEMBL6676900

CCCCCCC1CC(NC(=O)CN(CC)CC)c2c(C)c(O)c(C)c(C)c2O1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.39
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.32
CYP1A2 P05177 2/20 0.31
SMPD1 P17405 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
NAAA Q02083 3/20 0.31

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
SCHEMBL5839617 0.76 CYP4F2 (0.35) ALOX5LMNAMAPTMEN1KMT2A
SCHEMBL5839402 0.72 CYP3A4 (0.34) ALOX5LMNAMAPTCYP1A2
SCHEMBL8597770 0.66 ALOX5 (0.52) ALOX5PPARGCYP1A2SMPD1SIRT2
SCHEMBL3813602 0.60 NAAA (0.43) NAAA
SCHEMBL3816410 0.60 NAAA (0.43) NAAA
SCHEMBL6226470 0.60 NAAA (0.43) NAAA
SCHEMBL5839654 0.58 PTGS1 (0.37) ALOX5CYP1A2
SCHEMBL10504566 0.57 ALOX5 (1.00) ALOX5CYP1A2
SCHEMBL10507134 0.57 ALOX5 (1.00) ALOX5CYP1A2
SCHEMBL10503814 0.57 ALOX5 (1.00) ALOX5CYP1A2

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
EP-1301504-B1 BIFUNCTIONAL AGENTS POSSESSING ANTIOXIDANT AND ANTIARRHYTHMIC ACTIVITY UNI PHARMA KLEON TSETIS PHARMACEUTICAL LAB SA (GR) 2004-11-03 EP claimed