SCHEMBL9300699

SCHEMBL9300699

C[C@@H]1O[C@H](OC(OP(=O)(O)OP(=O)(O)O)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FUT5 Q11128 1/20 0.50
TGM2 P21980 1/20 0.49
NT5E P21589 1/20 0.49
KRAS P01116 4/20 0.46
HINT1 P49773 1/20 0.45
P2RY2 P41231 1/20 0.45
P2RY4 P51582 1/20 0.45
P2RY6 Q15077 1/20 0.45
POLB P06746 1/20 0.43
DCPS Q96C86 1/20 0.43
STING1 Q86WV6 2/20 0.43
IMPDH2 P12268 2/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
IMPDH1 P20839 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL309061 0.88 TGM2 (0.55) FUT5TGM2NT5EKRASHINT1
SCHEMBL18955504 0.87 TGM2 (0.54) FUT5TGM2NT5EKRASHINT1
SCHEMBL24772398 0.83 TGM2 (0.55) FUT5TGM2NT5EKRASHINT1
SCHEMBL23710659 0.83 TGM2 (0.55) FUT5TGM2NT5EKRASHINT1
SCHEMBL24772404 0.83 TGM2 (0.55) FUT5TGM2NT5EKRASHINT1
SCHEMBL23710657 0.83 TGM2 (0.55) FUT5TGM2NT5EKRASHINT1
SCHEMBL23710656 0.83 TGM2 (0.55) FUT5TGM2NT5EKRASHINT1
SCHEMBL8439911 0.83 TGM2 (0.55) FUT5TGM2NT5EKRASHINT1
SCHEMBL401415 0.82 TGM2 (0.56) FUT5TGM2NT5EKRASHINT1
SCHEMBL8438340 0.82 TGM2 (0.54) FUT5TGM2NT5EKRASHINT1

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-5371203-A Reacting a triester of L-fucose with trichloroacetonitrile to form corresponding trichloroacetimidate, followed by phosphating,hydrogenolysis, deprotecting, salt formation; a substrate for fucosyltransferases; tumor diagnosis MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-12-06 US disclosed