SCHEMBL6294757

SCHEMBL6294757

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(I)c(=O)[nH]c3=O)C[C@@H]2O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMS P04818 5/20 0.56
TK1 P04183 1/20 0.56
BCHE P06276 3/20 0.53
TYMP P19971 2/20 0.52

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
SCHEMBL21133906 1.00 TYMS (0.56) TYMSTK1BCHETYMP
SCHEMBL3599668 1.00 TYMS (0.56) TYMSTK1BCHETYMP
SCHEMBL15235291 1.00 TYMS (0.56) TYMSTK1BCHETYMP
SCHEMBL17123679 1.00 TYMS (0.56) TYMSTK1BCHETYMP
SCHEMBL7541144 1.00 TYMS (0.56) TYMSTK1BCHETYMP
SCHEMBL6294759 1.00 TYMS (0.56) TYMSTK1BCHETYMP
SCHEMBL13255800 1.00 TYMS (0.56) TYMSTK1BCHETYMP
Idoxuridine SCHEMBL8694067 0.97 TK1 (0.62) TYMSTK1BCHETYMP
SCHEMBL5702260 0.93 TK1 (0.64) TYMSTK1BCHETYMP
SCHEMBL10692639 0.93 TK1 (0.64) TYMSTK1BCHETYMP

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
US-6884882-B1 2′-deoxyuridine derivatives and hydrogels formed therewith POSTECH FOUNDATION (KR) 2005-04-26 US disclosed
US-5843917-A 5-Fluorouracil derivatives GLAXO WELLCOME INC. (US) 1998-12-01 US disclosed