SCHEMBL2942702

SCHEMBL2942702

CC(C)OC(=O)OC[C](COC(=O)OC(C)C)OC1(Cn2cnc3c(N)ncnc32)CC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAP Q12884 2/20 0.50
ADORA2A P29274 6/20 0.43
ADORA1 P30542 4/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
STING1 Q86WV6 3/20 0.41
ADORA2B P29275 1/20 0.41
ADCY5 O95622 4/20 0.41
METTL3 Q86U44 1/20 0.40
METTL14 Q9HCE5 1/20 0.40
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
FGFR1 P11362 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39

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
SCHEMBL2942704 0.86 FAP (0.51) FAPADORA2AADORA1ALDH1A1CYP3A4
SCHEMBL2940661 0.84 FAP (0.34) FAPALDH1A1
SCHEMBL4274931 0.82 FAP (0.51) FAPADORA2AADORA1ALDH1A1CYP3A4
SCHEMBL2910508 0.81 FAP (0.51) FAPADORA2AADORA1ALDH1A1CYP3A4
SCHEMBL2939154 0.79 FAP (0.51) FAPADORA2AADORA1ALDH1A1CYP3A4
SCHEMBL2906659 0.75 ADORA2A (0.56) ADORA2AADORA1ALDH1A1ADORA2BPI4KA
SCHEMBL2906656 0.74 ADORA2A (0.55) ADORA2AADORA1ALDH1A1ADORA2BPI4KA
SCHEMBL2939158 0.74 FAP (0.50) FAPADORA2AADORA1ALDH1A1CYP3A4
SCHEMBL13328650 0.73 CYP3A4 (0.48) FAPADORA2AADORA1ALDH1A1CYP3A4
SCHEMBL4265957 0.73 FAP (0.53) FAPADORA2AADORA1ALDH1A1CYP3A4

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-1358198-B1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD (KR) 2010-08-25 EP claimed