SCHEMBL9821380

SCHEMBL9821380

O=C(O)CCC(=O)C(O)[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@]1(O)C(=O)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.39
ESR1 P03372 1/20 0.39
TSHR P16473 1/20 0.35
PMP22 Q01453 1/20 0.35
HBB P68871 1/20 0.35
TYMS P04818 1/20 0.33
NT5E P21589 1/20 0.33
P2RY6 Q15077 1/20 0.33
P2RY14 Q15391 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
GRIK5 Q16478 1/20 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
SCHEMBL11022379 0.92 LMNA (0.40) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL11020536 0.92 LMNA (0.40) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL10458148 0.89 LMNA (0.41) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL9821197 0.87 LMNA (0.43) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL9744350 0.86 LMNA (0.40) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL10428773 0.85 LMNA (0.39) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL3179329 0.85 LMNA (0.39) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL3183300 0.85 LMNA (0.39) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL9747028 0.85 LMNA (0.39) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL2419477 0.85 LMNA (0.39) LMNASMN1; SMN2MAPTESR1TSHR

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-5013828-A Fluorinating 2'-deoxyuridine with fluorine gas, fatty acid salt present, acylation with acid anhydride or halide CENTRAL GLASS COMPANY, LIMITED (JP) 1991-05-07 US disclosed