SCHEMBL9795142

SCHEMBL9795142

CC(C)(N)C(=O)NCCC1CCCCC1OC(=O)C(=O)OC1CCCCC1CCNC(=O)C(C)(C)N

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9795241 0.86 IDO1 (0.33) EPHX1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9498434 0.80 CA1 (0.44) EPHX1SMN1; SMN2HSD17B10
Fumaric Acid SCHEMBL9795229 0.79 GSR (0.35)
Oxalic Acid SCHEMBL9795140 0.76 CA1 (0.41) EPHX1SMN1; SMN2HSD17B10
Oxalic Acid SCHEMBL9795133 0.76 CA1 (0.41) EPHX1SMN1; SMN2HSD17B10
SCHEMBL9795342 0.72 PDK1 (0.32)
SCHEMBL9498687 0.70 GSR (0.42)
SCHEMBL9497838 0.67 CA1 (0.39) SMN1; SMN2HSD17B10
SCHEMBL9795378 0.67 CA1 (0.39) SMN1; SMN2HSD17B10
Fumaric Acid SCHEMBL9795349 0.65 GSR (0.37)

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-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed