SCHEMBL11248724

SCHEMBL11248724

O=C(N[C@@H](Cc1ccccc1)C(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 3/20 0.49
▸ P2RY14 Q15391 3/20 0.49
▸ NT5E P21589 2/20 0.49
▸ TYMS P04818 1/20 0.48
▸ TYR P14679 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ HBB P68871 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CTSK P43235 3/20 0.42
▸ CTSB P07858 2/20 0.42
▸ CTSS P25774 2/20 0.42
▸ HINT1 P49773 1/20 0.41
▸ P2RY2 P41231 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ CTSL P07711 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
SCHEMBL11242728 1.00 P2RY6 (0.49) P2RY6P2RY14NT5ETYMSTYR
SCHEMBL11252465 1.00 P2RY6 (0.49) P2RY6P2RY14NT5ETYMSTYR
SCHEMBL11248727 1.00 P2RY6 (0.49) P2RY6P2RY14NT5ETYMSTYR
SCHEMBL11246189 0.90 P2RY6 (0.50) P2RY6P2RY14NT5ETYMSTSHR
SCHEMBL11246184 0.90 P2RY6 (0.50) P2RY6P2RY14NT5ETYMSTSHR
SCHEMBL9638269 0.90 P2RY6 (0.50) P2RY6P2RY14NT5ETYMSTSHR
SCHEMBL9638270 0.90 P2RY6 (0.50) P2RY6P2RY14NT5ETYMSTSHR
SCHEMBL11230072 0.90 P2RY6 (0.46) P2RY6P2RY14NT5ETYMSTSHR
SCHEMBL11230068 0.90 P2RY6 (0.46) P2RY6P2RY14NT5ETYMSTSHR
SCHEMBL11242245 0.89 P2RY6 (0.45) P2RY6P2RY14NT5ETYMSTSHR

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-4340728-A ANTITUMOR AGENT OF 5-FLUORO URIDINE OR URACIL DERIVATIVE FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-07-20 — — US disclosed
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