SCHEMBL8005512

SCHEMBL8005512

C=CCOC1CCCN(C(=O)NCC(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
F2R P25116 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
EPHX2 P34913 2/20 0.33
RBP4 P02753 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33

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
SCHEMBL17099260 0.84 GRM5 (0.40) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL1072300 0.83 TAAR1 (0.38) KMT2AMEN1LMNATAAR1EPHX2
SCHEMBL18669321 0.83 TAAR1 (0.38) KMT2AMEN1LMNATAAR1EPHX2
SCHEMBL8005489 0.79 TAAR1 (0.35) KMT2AMEN1LMNATAAR1EPHX2
SCHEMBL8012170 0.79 TAAR1 (0.35) KMT2AMEN1LMNATAAR1EPHX2
SCHEMBL1071126 0.79 EPHX2 (0.33) KMT2AMEN1NPC1RAB9ATAAR1
SCHEMBL7997019 0.79 NAMPT (0.38) LMNAMDM2
SCHEMBL20310044 0.78 GAA (0.33) KMT2AMEN1NPC1RAB9APRMT5
SCHEMBL1072452 0.78 GAA (0.33) KMT2AMEN1NPC1RAB9APRMT5
SCHEMBL1070033 0.77 GAA (0.35) KMT2AMEN1NPC1RAB9ATAAR1

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
WO-2009108507-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2009-09-03 WO disclosed