SCHEMBL24533744

SCHEMBL24533744

CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DUT P33316 4/20 0.59
P2RY2 P41231 2/20 0.46
P2RY4 P51582 2/20 0.46
P2RY6 Q15077 1/20 0.46
TYMS P04818 3/20 0.45
TK1 P04183 2/20 0.44
TK2 O00142 1/20 0.43

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
SCHEMBL11204766 0.92 DUT (0.57) DUTP2RY2P2RY4P2RY6TYMS
SCHEMBL2623789 0.90 DUT (0.55) DUTP2RY2P2RY4P2RY6TYMS
SCHEMBL1364671 0.89 DUT (0.61) DUTP2RY2P2RY4P2RY6TYMS
SCHEMBL11136389 0.87 DUT (0.61) DUTP2RY2P2RY4P2RY6TYMS
SCHEMBL11201697 0.86 DUT (0.60) DUTP2RY2P2RY4P2RY6TYMS
SCHEMBL26757491 0.85 DUT (0.64) DUTP2RY2P2RY4P2RY6TYMS
SCHEMBL12918449 0.85 DUT (0.64) DUTP2RY2P2RY4P2RY6TYMS
SCHEMBL13153886 0.85 DUT (0.64) DUTP2RY2P2RY4P2RY6TYMS
SCHEMBL438240 0.85 DUT (0.64) DUTP2RY2P2RY4P2RY6TYMS
SCHEMBL18670762 0.85 DUT (0.57) DUTP2RY2P2RY4P2RY6TYMS

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
WO-2022133289-A2 ENGINEERED URIDINE PHOSPHORYLASE VARIANT ENZYMES CODEXIS, INC. (US) 2022-06-23 WO disclosed
WO-2022133205-A1 SYNTHESIS OF ANTIVIRAL NUCLEOSIDES MERCK SHARP & DOHME CORP. (US) 2022-06-23 WO disclosed