SCHEMBL9548812

SCHEMBL9548812

CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](n2cnc3c(=O)[nH]cnc32)O[C@@H]1CO

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
ALB P02768 1/20 0.55
MAPK1 P28482 1/20 0.55
TYMP P19971 2/20 0.53
KDM4E B2RXH2 1/20 0.45
STING1 Q86WV6 3/20 0.45
HIF1A Q16665 1/20 0.42
P2RX3 P56373 1/20 0.42
ADORA3 P0DMS8 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
SCHEMBL27252311 1.00 ALDH1A1 (0.55) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL9913205 0.91 TYMP (0.51) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL25752689 0.90 TYMP (0.52) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL12856853 0.90 TYMP (0.52) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL18486209 0.90 TYMP (0.52) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL10432415 0.87 LMNA (0.60) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL9548615 0.86 POLB (0.52) LMNAKDM4ESTING1ADORA3
SCHEMBL9548609 0.86 POLB (0.52) LMNAKDM4ESTING1ADORA3
SCHEMBL12308952 0.83 ALDH1A1 (0.55) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL9548829 0.82 ADA (0.53) LMNAMAPK1STING1HIF1AADORA3

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
US-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed