SCHEMBL5839636

SCHEMBL5839636

CCCCCCCCCCCCC1(C)C=Cc2c(c(C)c(C)c(OC)c2C(=O)O)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
HRH1 P35367 1/20 0.41
OPRM1 P35372 1/20 0.41
PSEN1 P49768 6/20 0.39
ALDH1A1 P00352 1/20 0.38
PPARA Q07869 2/20 0.36
TRPA1 O75762 1/20 0.34
LDHA P00338 1/20 0.34
CNR1 P21554 1/20 0.34
SLC6A4 P31645 1/20 0.34
CNR2 P34972 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
TRPV2 Q9Y5S1 1/20 0.34
PPARG P37231 1/20 0.33
PTPN1 P18031 5/20 0.33
ACE2 Q9BYF1 2/20 0.33

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
SCHEMBL5839056 1.00 SLC6A2 (0.41) SLC6A2HRH1OPRM1PSEN1ALDH1A1
SCHEMBL5839590 0.82 ALDH1A1 (0.36) ALDH1A1
SCHEMBL5839706 0.81 PSEN1 (0.33) SLC6A2HRH1OPRM1PSEN1ALDH1A1
SCHEMBL5839138 0.81 PSEN1 (0.33) SLC6A2HRH1OPRM1PSEN1ALDH1A1
SCHEMBL5838872 0.72 ALOX5 (0.41) SLC6A2TRPA1LDHACNR1SLC6A4
SCHEMBL5839458 0.72 ALOX5 (0.41) SLC6A2TRPA1LDHACNR1SLC6A4
SCHEMBL5839052 0.72 PSEN1 (0.51) PSEN1PTPN1
SCHEMBL5838888 0.72 PSEN1 (0.51) PSEN1PTPN1
SCHEMBL5839030 0.70 ALDH1A1 (0.38) SLC6A2HRH1OPRM1ALDH1A1
SCHEMBL5839667 0.70 ALDH1A1 (0.38) SLC6A2HRH1OPRM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115657-B2 Bifunctional agents possessing antioxidant and antiarrhythmic activity UNI-PHARMA KLEON TSETIS PHARMACEUTICAL LABORATORIES S.A. (GR) 2006-10-03 US disclosed
EP-1301504-B1 BIFUNCTIONAL AGENTS POSSESSING ANTIOXIDANT AND ANTIARRHYTHMIC ACTIVITY UNI PHARMA KLEON TSETIS PHARMACEUTICAL LAB SA (GR) 2004-11-03 EP disclosed
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