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SCHEMBL11295485

SCHEMBL11295485

CC(=O)OC[C@@H]1O[C@H](n2cc(/C=C/Br)c(=O)[nH]c2=O)CC1O

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 3/20 0.73
▸ CYP1A2 P05177 1/20 0.73
▸ CYP3A4 P08684 1/20 0.73
▸ TSHR P16473 1/20 0.73
▸ BLM P54132 1/20 0.73
▸ PMP22 Q01453 1/20 0.73
▸ NPSR1 Q6W5P4 1/20 0.73
▸ TYMS P04818 2/20 0.58
▸ TK2 O00142 4/20 0.50

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
SCHEMBL11295482 1.00 TK1 (0.73) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11295486 1.00 TK1 (0.73) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11207529 0.90 TK1 (0.70) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11207504 0.90 TK1 (0.70) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11207537 0.90 TK1 (0.70) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11199310 0.90 TK1 (0.65) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11282582 0.90 TK1 (0.69) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11202395 0.90 TK1 (0.69) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11202401 0.90 TK1 (0.69) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11202393 0.90 TK1 (0.69) 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-0061283-A1 Antiviral agents, their preparation and use BEECHAM GROUP PLC (GB) 1982-09-29 — — EP disclosed