SCHEMBL18898478

SCHEMBL18898478

CCOC(=O)CC[C@@H](Nc1cc(=O)n(CC)c(=O)[nH]1)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMEL1 Q495T6 1/20 0.38
▸ PGR P06401 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 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
SCHEMBL17861559 0.90 PGR (0.40) PGRALDH1A1
SCHEMBL18898417 0.88 PGR (0.39) PGRHTT
SCHEMBL17841289 0.83 PGR (0.43) PGRALDH1A1HPGDHTT
SCHEMBL17857556 0.82 PGR (0.42) PGRHTT
SCHEMBL16322048 0.77 HTT (0.53) PGRHTT
SCHEMBL16322050 0.77 HTT (0.53) PGRHTT
SCHEMBL16321357 0.71 SMN1; SMN2 (0.50) ALDH1A1MEN1GAAHTTKMT2A
SCHEMBL16321359 0.71 SMN1; SMN2 (0.50) ALDH1A1MEN1GAAHTTKMT2A
SCHEMBL16321035 0.69 HTT (0.54) PGRHTT
SCHEMBL16321033 0.69 HTT (0.54) PGRHTT

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
US-9663516-B2 Bicyclic-pyrimidinedione compounds MyoKardia, Inc. (US) 2017-05-30 — — US disclosed
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