SCHEMBL11245043

SCHEMBL11245043

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 5/20 0.54
▸ P2RY14 Q15391 4/20 0.54
▸ NT5E P21589 1/20 0.54
▸ TSHR P16473 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ HBB P68871 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TYMS P04818 1/20 0.47
▸ HINT1 P49773 1/20 0.43
▸ P2RY2 P41231 2/20 0.43
▸ DNPH1 O43598 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ GRIA1 P42261 1/20 0.42
▸ GRIA2 P42262 1/20 0.42
▸ GRIA3 P42263 1/20 0.42
▸ GRIA4 P48058 1/20 0.42
▸ GRIK5 Q16478 1/20 0.42

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
SCHEMBL11245047 1.00 P2RY6 (0.54) P2RY6P2RY14NT5ETSHRLMNA
SCHEMBL10332496 0.86 P2RY6 (0.44) P2RY6P2RY14NT5ETSHRLMNA
SCHEMBL10332498 0.86 P2RY6 (0.44) P2RY6P2RY14NT5ETSHRLMNA
Hydrochloric Acid SCHEMBL9638091 0.85 P2RY6 (0.44) P2RY6P2RY14NT5ETSHRLMNA
Hydrochloric Acid SCHEMBL9638086 0.85 P2RY6 (0.44) P2RY6P2RY14NT5ETSHRLMNA
SCHEMBL18894570 0.85 P2RY6 (0.48) P2RY6P2RY14NT5ETSHRLMNA
SCHEMBL10332267 0.84 P2RY6 (0.43) P2RY6P2RY14NT5ETSHRLMNA
SCHEMBL10332265 0.84 P2RY6 (0.43) P2RY6P2RY14NT5ETSHRLMNA
SCHEMBL9775114 0.84 P2RY6 (0.56) P2RY6P2RY14NT5ETSHRLMNA
SCHEMBL8670352 0.84 P2RY6 (0.59) P2RY6P2RY14NT5ETSHRLMNA

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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