SCHEMBL9851876

SCHEMBL9851876

CCCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)[C@H](n2ncc3c(=O)[nH]cnc32)O1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.40
STING1 Q86WV6 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TYMP P19971 2/20 0.33
LMNA P02545 1/20 0.32
ALB P02768 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.31
ATG7 O95352 1/20 0.31
P2RX3 P56373 1/20 0.30

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
SCHEMBL9851804 0.90 NT5E (0.41) NT5ESTING1ALDH1A1TYMPLMNA
SCHEMBL9851799 0.89 ALDH1A1 (0.34) NT5ESTING1ALDH1A1HTTMAPT
SCHEMBL9851775 0.84 ATG7 (0.44) NT5ETYMPATG7P2RX3
SCHEMBL9851837 0.82 ALDH1A1 (0.35) STING1ALDH1A1LMNAALBMAPK1
SCHEMBL9851738 0.81 STING1 (0.40) NT5ESTING1ALDH1A1TYMPLMNA
SCHEMBL9851855 0.81 NT5E (0.37) NT5ESTING1ALDH1A1TYMPLMNA
SCHEMBL9851714 0.80 ALDH1A1 (0.43) NT5ESTING1ALDH1A1LMNAALB
SCHEMBL9851916 0.79 LPAR1 (0.36) NT5ESTING1ALDH1A1
SCHEMBL9851779 0.79 LPAR1 (0.36) NT5ESTING1ALDH1A1
SCHEMBL9851863 0.79 LPAR1 (0.36) NT5ESTING1ALDH1A1

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