SCHEMBL20245656

SCHEMBL20245656

C/C=N\C1=C(C)C(=O)OC(C)(C(=O)OC)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IDO1 P14902 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL20246141 0.84
SCHEMBL20245734 0.77 MEN1 (0.39)
SCHEMBL20245770 0.77 POLB (0.37) POLBL3MBTL1IDO1ALDH1A1
SCHEMBL20245586 0.71 HCRTR2 (0.35) L3MBTL1ALDH1A1
SCHEMBL21961899 0.70 POLB (0.38) POLBL3MBTL1IDO1ALDH1A1
SCHEMBL20245833 0.63 ALDH1A1 (0.35) POLBL3MBTL1ALDH1A1
SCHEMBL3519499 0.61 POLB (0.50) POLBL3MBTL1ALDH1A1
SCHEMBL20245705 0.61
SCHEMBL20253619 0.60 TSHR (0.32) POLBL3MBTL1IDO1ALDH1A1
SCHEMBL7931225 0.60 MEN1 (0.32) IDO1

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-3172212-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 EP disclosed