SCHEMBL9795241

SCHEMBL9795241

CC(C)(N)C(=O)NCC1CCCCC1OC(=O)C(=O)OC1CCCCC1CNC(=O)C(C)(C)N

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
EPHX2 P34913 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
EPHX1 P07099 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 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
SCHEMBL9795142 0.86 EPHX1 (0.31) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL9498687 0.83 GSR (0.42)
SCHEMBL9497838 0.78 CA1 (0.39) IDO1TDO2SMN1; SMN2HSD17B10
SCHEMBL9795378 0.78 CA1 (0.39) IDO1TDO2SMN1; SMN2HSD17B10
Fumaric Acid SCHEMBL9795349 0.78 GSR (0.37)
Oxalic Acid SCHEMBL9795235 0.75 CA1 (0.36) IDO1TDO2SMN1; SMN2HSD17B10
Oxalic Acid SCHEMBL9795230 0.75 CA1 (0.36) IDO1TDO2SMN1; SMN2HSD17B10
SCHEMBL9795342 0.74 PDK1 (0.32)
SCHEMBL25587352 0.71 PREP (0.38) ALDH1A1EPHX2SMN1; SMN2HSD17B10
SCHEMBL9498434 0.67 CA1 (0.44) SMN1; SMN2HSD17B10EPHX1

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