SCHEMBL7046206

SCHEMBL7046206

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

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.39
ALOX5 P09917 2/20 0.31
PSEN1 P49768 3/20 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
SCHEMBL5839253 0.81 PTPN1 (0.43) PTPN1ALOX5PSEN1
SCHEMBL5838496 0.75 PTPN1 (0.37) PTPN1ALOX5PSEN1
SCHEMBL5839630 0.71 PTPN1 (0.36) PTPN1
SCHEMBL7046202 0.67 ALOX5 (0.36) PTPN1ALOX5PSEN1
SCHEMBL5839624 0.62 PSEN1 (0.36) PTPN1ALOX5PSEN1
SCHEMBL5839793 0.62 PSEN1 (0.36) PTPN1ALOX5PSEN1
SCHEMBL5838752 0.61 MAPT (0.40) PTPN1ALOX5
SCHEMBL3239913 0.59 MMP2 (0.40) PTPN1ALOX5
SCHEMBL3246348 0.59 MMP2 (0.40) PTPN1ALOX5
SCHEMBL3239425 0.59 MMP2 (0.40) PTPN1ALOX5

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