SCHEMBL7766544

SCHEMBL7766544

CC(C)(C)OC(=O)NCc1cccc(C(=O)N2CCN(OC(=O)OCc3ccccc3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
SYK P43405 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SIGMAR1 Q99720 3/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAMPT P43490 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
PARP1 P09874 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL7770409 0.79 CHRM3 (0.51) CNR2SIGMAR1NAMPTPARP1
SCHEMBL23181123 0.79 RAB9A (0.54) SYKMEN1KMT2ALMNASMN1; SMN2
SCHEMBL6027850 0.77 PRSS1 (0.50) SYKMEN1KMT2ASIGMAR1SMN1; SMN2
SCHEMBL15866724 0.75 ACHE (0.49) CNR2
SCHEMBL14898171 0.74 TGM2 (0.43) KMT2ARAB9A
SCHEMBL1300408 0.74 NAMPT (0.44) CNR2SIGMAR1SMN1; SMN2L3MBTL1NAMPT
SCHEMBL184425 0.74 NR1H4 (0.61) KMT2AMAPK1NAMPTNPC1RAB9A
SCHEMBL14879910 0.73 L3MBTL3 (0.44) CNR2NAMPT
SCHEMBL12801917 0.73 MGLL (0.50)
SCHEMBL21455594 0.73 NR1H4 (0.48) SYKNAMPTBRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115731-A2 NOVEL PYRANOSES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-07-18 EP disclosed
WO-2000014097-A2 NOVEL PYRANOSES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-03-16 WO disclosed