SCHEMBL9851855

SCHEMBL9851855

CCCCCOC[C@@H]1C[C@@H](O)[C@H](n2ncc3c(=O)[nH]cnc32)O1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.37
ALDH1A1 P00352 4/20 0.37
STING1 Q86WV6 2/20 0.37
LMNA P02545 2/20 0.35
ALB P02768 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.33
TYMP P19971 1/20 0.33
HPRT1 P00492 1/20 0.32
MAPT P10636 1/20 0.32
ATG7 O95352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NOS1 P29475 1/20 0.32
P2RX3 P56373 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31

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
SCHEMBL9851793 0.90 ALDH1A1 (0.37) ALDH1A1STING1LMNAALBMAPK1
SCHEMBL9851916 0.86 LPAR1 (0.36) NT5EALDH1A1STING1
SCHEMBL9851779 0.86 LPAR1 (0.36) NT5EALDH1A1STING1
SCHEMBL9851863 0.86 LPAR1 (0.36) NT5EALDH1A1STING1
SCHEMBL9851738 0.84 STING1 (0.40) NT5EALDH1A1STING1LMNAALB
SCHEMBL9851820 0.82 ALDH1A1 (0.39) ALDH1A1STING1LMNAALBMAPK1
SCHEMBL9851714 0.82 ALDH1A1 (0.43) NT5EALDH1A1STING1LMNAALB
SCHEMBL9851876 0.81 NT5E (0.40) NT5EALDH1A1STING1LMNAALB
SCHEMBL9851821 0.79 ALDH1A1 (0.37) NT5EALDH1A1STING1LMNAHTT
SCHEMBL9851795 0.78 PRKCA (0.37)

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-0450102-A1 NUCLEOSIDE DERIVATIVE Yamasa Shoyu Kabushiki Kaisha (JP) 1991-10-09 EP claimed
EP-0450102-A1 NUCLEOSIDE DERIVATIVE Yamasa Shoyu Kabushiki Kaisha (JP) 1991-10-09 EP disclosed