SCHEMBL20122065

SCHEMBL20122065

CCCCCCCCCCCCCCCCCCCCCCc1cc(C)c(C)o1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ELANE P08246 3/20 0.42
ALOX15 P16050 1/20 0.40
THRB P10828 1/20 0.39
PTGS2 P35354 3/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
ALOX5 P09917 3/20 0.38
PTGS1 P23219 1/20 0.37
EPHX2 P34913 1/20 0.36
PPARA Q07869 1/20 0.36
STS P08842 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3923901 0.98 MAPT (0.42) MAPTSMN1; SMN2ELANEALOX15THRB
SCHEMBL3925033 0.92 TLR8 (0.40) MAPTSMN1; SMN2ELANEALOX15SIRT2
SCHEMBL3922006 0.83 TLR8 (0.37) MAPTSMN1; SMN2ALOX15STSALDH1A1
SCHEMBL11717767 0.75 TTR (0.57) ELANEALOX15EPHX2PPARAALDH1A1
SCHEMBL11719258 0.75 TTR (0.57) ELANEALOX15EPHX2PPARAALDH1A1
SCHEMBL183395 0.73
SCHEMBL17895868 0.73 CYP4F2 (0.48) MAPTSMN1; SMN2ELANEALOX15PTGS2
SCHEMBL11715954 0.73 TTR (0.58) MAPTELANEALOX15EPHX2PPARA
SCHEMBL11723061 0.72 KDM4E (0.50) MAPTELANEALDH1A1TSHRHTT
SCHEMBL30889343 0.72 MAPT (0.45) MAPTSMN1; SMN2ELANEALOX15PTGS2

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
US-9963450-B2 A3 adenosine receptor agonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-05-08 US disclosed