SCHEMBL9851799

SCHEMBL9851799

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
STING1 Q86WV6 1/20 0.32
NT5E P21589 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 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
SCHEMBL9851837 0.91 ALDH1A1 (0.35) ALDH1A1STING1HTTMAPT
SCHEMBL9851876 0.89 NT5E (0.40) ALDH1A1STING1NT5EHTTMAPT
SCHEMBL9851701 0.89 ALDH1A1 (0.37) ALDH1A1STING1NT5EHTTMAPT
SCHEMBL9851856 0.81 ALDH1A1 (0.39) ALDH1A1STING1HTTMAPT
SCHEMBL9851775 0.80 ATG7 (0.44) NT5E
SCHEMBL9851804 0.79 NT5E (0.41) ALDH1A1STING1NT5EHTTMAPT
SCHEMBL9851793 0.76 ALDH1A1 (0.37) ALDH1A1STING1HTTMAPT
SCHEMBL9851765 0.75 ATG7 (0.36) ALDH1A1STING1NT5EMAPT
SCHEMBL9851816 0.75 MEN1 (0.37) ALDH1A1STING1
SCHEMBL9851704 0.75 ALDH1A1 (0.39) ALDH1A1STING1HTTMAPT

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