SCHEMBL7046202

SCHEMBL7046202

CCCCCCC1(C)CC(C(Br)C(N)=O)c2c(C)c(O)c(C)c(C)c2O1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.36
NR1I2 O75469 2/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
TTPA P49638 2/20 0.35
MEN1 O00255 1/20 0.35
GSTP1 P09211 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP4F2 P78329 1/20 0.33
PTPN1 P18031 2/20 0.32
AKT1 P31749 1/20 0.31
PSEN1 P49768 2/20 0.30

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
SCHEMBL5838752 0.81 MAPT (0.40) ALOX5NR1I2MAPTLMNATTPA
SCHEMBL5838490 0.76 ALOX5 (0.36) ALOX5NR1I2MAPTLMNATTPA
SCHEMBL6681011 0.74 ALOX5 (0.36) ALOX5NR1I2MAPTLMNATTPA
SCHEMBL6677365 0.74 ALOX5 (0.34) ALOX5NR1I2MAPTLMNATTPA
SCHEMBL5839617 0.71 CYP4F2 (0.35) ALOX5NR1I2MAPTLMNATTPA
Methylamine SCHEMBL27904384 0.68 TTPA (0.62) ALOX5NR1I2MAPTLMNATTPA
SCHEMBL7046206 0.67 PTPN1 (0.39) ALOX5PTPN1PSEN1
SCHEMBL2140164 0.67 MAPT (0.65) ALOX5NR1I2MAPTLMNATTPA
SCHEMBL20024669 0.67 MAPT (0.65) ALOX5NR1I2MAPTLMNATTPA
SCHEMBL14521827 0.67 MAPT (0.65) ALOX5NR1I2MAPTLMNATTPA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301504-A1 BIFUNCTIONAL AGENTS POSSESSING ANTIOXIDANT AND ANTIARRHYTHMIC ACTIVITY Uni-Pharma Kleon Tsetis Pharmaceutical Laboratories S.A. (GR) 2003-04-16 EP disclosed
WO-2002004438-A1 BIFUNCTIONAL AGENTS POSSESSING ANTIOXIDANT AND ANTIARRHYTHMIC ACTIVITY UNI-PHARMA KLEON TSETIS PHARMACEUTICAL LABORATORIES S.A. (GR) 2002-01-17 WO disclosed