SCHEMBL7800239

SCHEMBL7800239

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 4/20 0.54
P2RY14 Q15391 4/20 0.54
NT5E P21589 1/20 0.54
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 1/20 0.50
PMP22 Q01453 1/20 0.50
HBB P68871 1/20 0.50
THRB P10828 1/20 0.48
HIF1A Q16665 1/20 0.48
TK2 O00142 2/20 0.44
DNPH1 O43598 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
SCHEMBL6536566 0.91 LMNA (0.54) P2RY6P2RY14NT5ELMNASMN1; SMN2
SCHEMBL570475 0.91 LMNA (0.54) P2RY6P2RY14NT5ELMNASMN1; SMN2
SCHEMBL2583193 0.91 LMNA (0.58) P2RY6P2RY14NT5ELMNASMN1; SMN2
SCHEMBL1055675 0.91 LMNA (0.58) P2RY6P2RY14NT5ELMNASMN1; SMN2
SCHEMBL7806784 0.90 TK2 (0.54) P2RY6P2RY14NT5ELMNASMN1; SMN2
SCHEMBL10894860 0.86 LMNA (0.50) P2RY6P2RY14NT5ELMNASMN1; SMN2
SCHEMBL10894855 0.86 LMNA (0.50) P2RY6P2RY14NT5ELMNASMN1; SMN2
SCHEMBL10887395 0.86 LMNA (0.50) P2RY6P2RY14NT5ELMNASMN1; SMN2
SCHEMBL10887401 0.86 LMNA (0.50) P2RY6P2RY14NT5ELMNASMN1; SMN2
SCHEMBL17198346 0.85 P2RY6 (0.46) P2RY6P2RY14NT5ELMNASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0851866-B1 THERAPEUTIC COMPOUNDS OXFORD GLYCOSCIENCES UK LTD (GB) 2001-08-29 EP claimed
US-5945406-A ANTICANCER AGENTS; TREATMENT FOR METASTATIC LIVER CANCER, FUNGAL INFECTIONS, PSORIASIS; USED IN MANUFACTURE OF DRUGSTO PREVENT CELL DIVISION OXFORD GLYCOSCIENCES (UK) LTD. (GB) 1999-08-31 US claimed
EP-0851866-B1 THERAPEUTIC COMPOUNDS OXFORD GLYCOSCIENCES UK LTD (GB) 2001-08-29 EP disclosed
US-5945406-A ANTICANCER AGENTS; TREATMENT FOR METASTATIC LIVER CANCER, FUNGAL INFECTIONS, PSORIASIS; USED IN MANUFACTURE OF DRUGSTO PREVENT CELL DIVISION OXFORD GLYCOSCIENCES (UK) LTD. (GB) 1999-08-31 US disclosed
EP-0851866-A1 THERAPEUTIC COMPOUNDS Oxford GlycoSciences (UK) Limited (GB) 1998-07-08 EP disclosed
WO-1997000882-A1 THERAPEUTIC COMPOUNDS OXFORD GLYCOSCIENCES (UK) LIMITED (GB) 1997-01-09 WO disclosed