SCHEMBL15948658

SCHEMBL15948658

CC(C)OC(=O)OCOP(=O)(CO[C@H]1C[C@@H](n2cnc3c(N)ncnc32)C1)OCOC(=O)OC(C)C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAP Q12884 3/20 0.62
ADCY5 O95622 5/20 0.49
STING1 Q86WV6 4/20 0.47
ABCB11 O95342 1/20 0.45
POLA1 P09884 1/20 0.45
POLG P54098 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
AHCY P23526 1/20 0.44
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL15948882 0.86 FAP (0.61) FAPADCY5STING1ABCB11POLA1
SCHEMBL15948657 0.86 FAP (0.61) FAPADCY5STING1ABCB11POLA1
SCHEMBL15948884 0.83 ADCY5 (0.59) ADCY5ADORA3ADORA2AADORA2BADORA1
SCHEMBL15948858 0.82 ADCY5 (0.56) ADCY5AHCYADORA3ADORA2AADORA2B
SCHEMBL15948724 0.78 ADCY5 (0.60) ADCY5SLC22A6ADORA3ADORA2AADORA2B
SCHEMBL10421735 0.78 ADCY5 (0.60) ADCY5SLC22A6ADORA3ADORA2AADORA2B
SCHEMBL8660803 0.77 ADCY5 (0.65) ADCY5ADORA3ADORA2AADORA2BADORA1
Tenofovir Disoproxil SCHEMBL497677 0.77 FAP (1.00) FAPABCB11POLA1POLGSLC22A6
Tenofovir Disoproxil SCHEMBL29376425 0.77 FAP (1.00) FAPABCB11POLA1POLGSLC22A6
Tenofovir Disoproxil SCHEMBL52793 0.77 FAP (1.00) FAPABCB11POLA1POLGSLC22A6

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
WO-2014124430-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2014-08-14 WO disclosed