SCHEMBL8921913

SCHEMBL8921913

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2CN

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.40
▸ PI4K2B Q8TCG2 1/20 0.40
▸ PI4K2A Q9BTU6 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ CA2 P00918 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ GLB1 P16278 1/20 0.33
▸ TSHR P16473 2/20 0.32

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
SCHEMBL10051725 0.89 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL24686932 0.89 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL12355482 0.80 CA2 (0.35) ALDH1A1CA2CA1CA9GLB1
SCHEMBL13747442 0.80 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL803317 0.80 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL9805595 0.80 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL4760678 0.80 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL12347904 0.80 CA2 (0.35) ALDH1A1CA2CA1CA9GLB1
SCHEMBL20844612 0.80 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL29546906 0.80 CA2 (0.35) ALDH1A1CA2CA1CA9GLB1

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
US-5703224-A Antiviral c-nucleoside derivatives NIPPON SHINYAKU CO. LTD. (JP) 1997-12-30 — — US disclosed
EP-0733630-A1 NUCLEOSIDE DERIVATIVE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-09-25 — — EP disclosed
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