SCHEMBL3823927

SCHEMBL3823927

CCCCCCOC(=O)n1cc(F)c(=O)[nH]c1=O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
LMNA P02545 2/20 0.62
SQOR Q9Y6N5 2/20 0.62
ASAH1 Q13510 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPK3 P27361 1/20 0.62
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL10656213 0.95 SMN1; SMN2 (0.57) SMN1; SMN2LMNASQORASAH1CYP3A4
SCHEMBL11024545 0.84 LMNA (0.61) SMN1; SMN2LMNASQORASAH1CYP3A4
SCHEMBL7910033 0.83 LMNA (0.46) SMN1; SMN2LMNASQORASAH1CYP3A4
SCHEMBL11629007 0.80 SQOR (0.71) SMN1; SMN2LMNASQORASAH1CYP3A4
SCHEMBL19149112 0.80 SQOR (0.71) SMN1; SMN2LMNASQORASAH1CYP3A4
SCHEMBL11632037 0.80 SQOR (0.71) SMN1; SMN2LMNASQORASAH1CYP3A4
SCHEMBL19147981 0.80 SQOR (0.71) SMN1; SMN2LMNASQORASAH1CYP3A4
Carmofur SCHEMBL8037 0.76 ASAH1 (1.00) SMN1; SMN2LMNASQORASAH1CYP3A4
SCHEMBL11019900 0.76 SQOR (0.62) SMN1; SMN2LMNASQORASAH1CYP3A4
SCHEMBL10933495 0.76 ASAH1 (1.00) SMN1; SMN2LMNASQORASAH1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882734-B1 5'-Deoxy-cytidine derivatives HOFFMANN LA ROCHE (CH) 2009-08-26 EP claimed
EP-1060183-B1 5'-DEOXYCYTIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP claimed
US-6211166-B1 COADMINISTERED WITH A 5-FLUOROURACIL DERIVATIVE; ANTICARCINOGENIC AGENTS HOFFMAN-LA ROCHE INC. 2001-04-03 US claimed
EP-1060183-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-20 EP claimed
WO-1999040099-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-08-12 WO claimed
EP-0882734-A2 5'-Deoxy-cytidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-12-09 EP claimed
EP-0882734-B1 5'-Deoxy-cytidine derivatives HOFFMANN LA ROCHE (CH) 2009-08-26 EP disclosed
EP-1060183-B1 5'-DEOXYCYTIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6211166-B1 COADMINISTERED WITH A 5-FLUOROURACIL DERIVATIVE; ANTICARCINOGENIC AGENTS HOFFMAN-LA ROCHE INC. 2001-04-03 US disclosed
EP-1060183-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-20 EP disclosed
US-6114520-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US disclosed
US-6005098-A 5'deoxycytidine derivatives HOFFMANN-LA ROCHE INC. (US) 1999-12-21 US disclosed
WO-1999040099-A1 5'-DEOXYCYTIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-08-12 WO disclosed
EP-0882734-A2 5'-Deoxy-cytidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-12-09 EP disclosed