SCHEMBL76722

SCHEMBL76722

C=CCO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
EPHX2 P34913 1/20 0.31

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
SCHEMBL2182044 0.81 NR1H2 (0.35) NR1H2
SCHEMBL3310033 0.81 NR1H2 (0.34) NR1H2
SCHEMBL2146337 0.80 NR1H2 (0.36) NR1H2EPHX2
SCHEMBL18321103 0.80 NR1H2 (0.36) NR1H2EPHX2
SCHEMBL23942085 0.80 NR1H2 (0.36) NR1H2EPHX2
SCHEMBL1260528 0.79 USP30 (0.33)
SCHEMBL77330 0.79 PRMT5 (0.39) NR1H2
SCHEMBL704571 0.78 ABCB1 (0.41) EPHX2
SCHEMBL23043429 0.78 ABCB1 (0.41) EPHX2
SCHEMBL27223224 0.78 ABCB1 (0.41) EPHX2

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-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed