SCHEMBL4733704

SCHEMBL4733704

Cc1nc2c3c(ccn2c1C)C(=O)[C@H](OC(=O)C(C)(C)C)[C@@H](c1ccccc1)O3

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
ATP4A P20648 3/20 0.32
ATP4B P51164 3/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL4981356 0.89 ATP4A (0.35) L3MBTL1ATP4AATP4BCYP3A4CYP2C9
SCHEMBL5652760 0.87 ATP4A (0.32) L3MBTL1ATP4AATP4BCYP3A4CYP2C9
SCHEMBL4735206 0.83 L3MBTL1 (0.36) L3MBTL1
SCHEMBL6487366 0.82 ATP4A (0.35) ATP4AATP4BCYP3A4CYP2C9
SCHEMBL5557163 0.82 ATP4A (0.35) ATP4AATP4BCYP3A4CYP2C9
SCHEMBL1815255 0.80 RET (0.36) ATP4AATP4BCYP3A4CYP2C9
SCHEMBL4731101 0.80 RET (0.36) ATP4AATP4BCYP3A4CYP2C9
SCHEMBL6656037 0.80 CYP3A4 (0.36) L3MBTL1ATP4AATP4BCYP3A4CYP2C9
SCHEMBL5745833 0.80 CYP3A4 (0.36) L3MBTL1ATP4AATP4BCYP3A4CYP2C9
SCHEMBL5744537 0.79 ELANE (0.39) L3MBTL1

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
WO-2008058990-A1 7,7-DISUBSTITUTED PYRANO-[2,3-C]-IMIDAZO-[1,2-A]-PYRIDINE DERIVATIVES AND THEIR USE AS GASTRIC ACID SECRETION INHIBITORS NYCOMED GMBH (DE) 2008-05-22 WO disclosed