SCHEMBL8323429

SCHEMBL8323429

CC(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMS P04818 3/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALOX12 P18054 1/20 0.40
ADRA1A P35348 1/20 0.40
RNASE1 P07998 1/20 0.39
TK1 P04183 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ABCG2 Q9UNQ0 3/20 0.37
ABCB1 P08183 1/20 0.37
TOP2A P11388 1/20 0.37

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
SCHEMBL8323433 1.00 TYMS (0.47) TYMSLMNASMN1; SMN2ALOX12ADRA1A
SCHEMBL8327674 0.90 LMNA (0.48) TYMSLMNASMN1; SMN2RNASE1TK1
SCHEMBL8327670 0.90 LMNA (0.48) TYMSLMNASMN1; SMN2RNASE1TK1
SCHEMBL9098312 0.90 TYMS (0.53) TYMSLMNASMN1; SMN2RNASE1TK1
SCHEMBL9098319 0.90 TYMS (0.53) TYMSLMNASMN1; SMN2RNASE1TK1
SCHEMBL9481138 0.84 LMNA (0.47) TYMSLMNASMN1; SMN2RNASE1TK1
SCHEMBL9481144 0.84 LMNA (0.47) TYMSLMNASMN1; SMN2RNASE1TK1
SCHEMBL570200 0.83 LMNA (0.55) TYMSLMNASMN1; SMN2RNASE1TK1
SCHEMBL8329362 0.83 LMNA (0.55) TYMSLMNASMN1; SMN2RNASE1TK1
SCHEMBL8327950 0.82 LMNA (0.47) TYMSLMNASMN1; SMN2RNASE1TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869464-A HAVING LOW TOXICITY, SUSTAINING LOW CONCENTRATION IN BLOOD FOR EXTENDED PERIOD TAIHO PHARMACEUTICAL CO. LTD. (JP) 1999-02-09 US disclosed
EP-0686641-B1 2'-DEOXY-5-FLUOROURIDINE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PROCESS FOR PRODUCING THE SAME, AND ANTITUMOR DRUG TAIHO PHARMACEUTICAL CO LTD (JP) 1998-08-26 EP disclosed
EP-0686641-A1 2'-DEOXY-5-FLUOROURIDINE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PROCESS FOR PRODUCING THE SAME, AND ANTITUMOR DRUG TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-12-13 EP disclosed