SCHEMBL7868482

SCHEMBL7868482

O=C(c1ccccc1)C(O)[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@]1(O)C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
PMP22 Q01453 1/20 0.43
HBB P68871 1/20 0.43
P2RY6 Q15077 2/20 0.36
P2RY14 Q15391 2/20 0.36
NT5E P21589 1/20 0.36
HSP90AA1 P07900 1/20 0.35
TYMS P04818 1/20 0.34
ESR1 P03372 1/20 0.33
P2RY2 P41231 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31
GRIK5 Q16478 1/20 0.31

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
SCHEMBL5080723 0.82 LMNA (0.36) LMNASMN1; SMN2MAPTTSHRPMP22
SCHEMBL4783559 0.82 RNASE1 (0.40) LMNA
SCHEMBL10458072 0.81 LMNA (0.39) LMNASMN1; SMN2MAPTTSHRPMP22
SCHEMBL8816517 0.81
SCHEMBL6297081 0.74 PYGM (0.35) P2RY6P2RY14P2RY2KDM4E
SCHEMBL8888860 0.72 RNASE1 (0.42) LMNA
SCHEMBL10589795 0.72 LMNA (0.38) LMNASMN1; SMN2MAPTTSHRPMP22
SCHEMBL6112118 0.71 CYP3A4 (0.33)
SCHEMBL6111880 0.71 CYP3A4 (0.33)
SCHEMBL27818419 0.71 CES2 (0.33) LMNA

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
EP-1124839-A2 NUCLEOSIDES WITH ANTI-HEPATITIS B VIRUS ACTIVITY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2001-08-22 EP disclosed
WO-2000026225-A2 NUCLEOSIDES WITH ANTI-HEPATITIS B VIRUS ACTIVITY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2000-05-11 WO disclosed