SCHEMBL9355402

SCHEMBL9355402

CCC(=O)OC[C@@H]1CC[C@H](n2cc(C)c(=O)[nH]c2=O)O1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.52
ABCB1 P08183 1/20 0.52
TK1 P04183 5/20 0.51
BCHE P06276 1/20 0.51

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
SCHEMBL4194797 0.88 BCHE (0.55) ABCG2ABCB1TK1BCHE
SCHEMBL12969489 0.88 BCHE (0.52) ABCG2ABCB1TK1BCHE
SCHEMBL13948027 0.88 BCHE (0.52) ABCG2ABCB1TK1BCHE
SCHEMBL9819384 0.88 BCHE (0.52) ABCG2ABCB1TK1BCHE
SCHEMBL17804438 0.88 BCHE (0.55) ABCG2ABCB1TK1BCHE
SCHEMBL26049446 0.88 ABCG2 (0.54) ABCG2ABCB1TK1BCHE
SCHEMBL27815893 0.88 ABCG2 (0.54) ABCG2ABCB1TK1BCHE
SCHEMBL22875773 0.87 ABCG2 (0.61) ABCG2ABCB1TK1BCHE
SCHEMBL9626690 0.87 ABCG2 (0.61) ABCG2ABCB1TK1BCHE
SCHEMBL24548453 0.87 BCHE (0.52) ABCG2ABCB1TK1BCHE

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
EP-0362967-B1 Nucleoside derivatives NYCOMED IMAGING AS (NO) 1994-09-07 EP disclosed
EP-0362967-A1 Nucleoside derivatives NYCOMED IMAGING AS (NO) 1990-04-11 EP disclosed