SCHEMBL9847481

SCHEMBL9847481

O=C(O)C=Cc1cn(C2CC(O)C(CO)C2)c(=O)[nH]c1=O

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.76
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TK2 O00142 4/20 0.41
TYMS P04818 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10848561 1.00 TK1 (0.76) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL10848568 1.00 TK1 (0.76) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11117681 1.00 TK1 (0.76) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL3410819 0.87 TK1 (0.70) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL9847513 0.87 TK1 (0.70) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL3408681 0.86 TK1 (0.79) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL10809607 0.86 TK1 (1.00) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL10848178 0.86 TK1 (1.00) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL10813778 0.85 TK1 (0.67) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL3416032 0.83 TK1 (0.74) TK1CYP1A2CYP3A4TSHRBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0418007-A2 Cyclopentane derivatives GLAXO GROUP LIMITED (GB) 1991-03-20 EP disclosed