SCHEMBL11097089

SCHEMBL11097089

C=CCC(C(=O)OCC)C(=O)c1ccccc1.CCOC(=O)CC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
NPC1 O15118 2/20 0.47
MMP8 P22894 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CES1 P23141 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL9647321 0.90 MEN1 (0.49) KMT2AMEN1NPC1MMP8SMN1; SMN2
SCHEMBL29747036 0.82 KMT2A (0.50) KMT2AMEN1NPC1SMN1; SMN2RAB9A
Ethylene SCHEMBL10550791 0.80 KMT2A (0.56) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL124577 0.80 KMT2A (0.59) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL286 0.79 SLC6A3 (0.51) KMT2AMEN1SMN1; SMN2RAB9ACA12
SCHEMBL17433663 0.78 KMT2A (0.57) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL17433560 0.78 KMT2A (0.57) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL31439645 0.78 KMT2A (0.57) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL17433641 0.78 KMT2A (0.57) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL28792148 0.78 KMT2A (0.57) KMT2AMEN1NPC1SMN1; SMN2RAB9A

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
EP-0104959-A1 4-Quinolone derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1984-04-04 EP disclosed