SCHEMBL10697851

SCHEMBL10697851

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

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DUT P33316 4/20 0.60
P2RY2 P41231 2/20 0.47
P2RY4 P51582 2/20 0.47
P2RY6 Q15077 1/20 0.47
TK2 O00142 1/20 0.47
TK1 P04183 1/20 0.47
TYMS P04818 4/20 0.46

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
SCHEMBL1744123 0.91 DUT (0.62) DUTP2RY2P2RY4P2RY6TK2
SCHEMBL516165 0.91 DUT (0.62) DUTP2RY2P2RY4P2RY6TK2
SCHEMBL9670015 0.89 DUT (0.60) DUTP2RY2P2RY4P2RY6TYMS
SCHEMBL2242406 0.87 DUT (0.63) DUTP2RY2P2RY4P2RY6TK1
SCHEMBL7866085 0.87 DUT (0.58) DUTP2RY2P2RY4P2RY6TYMS
SCHEMBL17479412 0.86 DUT (0.62) DUTP2RY2P2RY4P2RY6TYMS
SCHEMBL438240 0.86 DUT (0.64) DUTP2RY2P2RY4P2RY6TYMS
SCHEMBL13153886 0.86 DUT (0.64) DUTP2RY2P2RY4P2RY6TYMS
SCHEMBL26757491 0.86 DUT (0.64) DUTP2RY2P2RY4P2RY6TYMS
SCHEMBL12918449 0.86 DUT (0.64) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274025-A2 Novel antiviral agents SRI INTERNATIONAL (US) 1988-07-13 EP disclosed
EP-0273169-A2 Novel antiviral agents SRI INTERNATIONAL (US) 1988-07-06 EP disclosed
US-4271153-A VIRICIDES - TO COMBAT HERBES VIRUS ROBUGEN GMBH PHARMAZEUTISCHE FABRIK (DE) 1981-06-02 US disclosed