SCHEMBL8113249

SCHEMBL8113249

CCOC(=O)c1cc([C@@H]2CCCN2C(=O)OC(C)(C)C)on1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
EPHX2 P34913 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 4/20 0.42
LMNA P02545 3/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
HCRTR2 O43614 1/20 0.42
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
Isoxazole SCHEMBL9375228 0.92 MEN1 (0.48) MEN1KMT2AALDH1A1L3MBTL1EPHX2
SCHEMBL8114296 0.86 CHRNB2 (0.56) MEN1KMT2AALDH1A1L3MBTL1EPHX2
SCHEMBL8121446 0.86 CHRNB2 (0.56) MEN1KMT2AALDH1A1L3MBTL1EPHX2
SCHEMBL8139425 0.84 ALDH1A1 (0.51) MEN1KMT2AALDH1A1L3MBTL1NPSR1
SCHEMBL9264284 0.84 ALDH1A1 (0.51) MEN1KMT2AALDH1A1L3MBTL1NPSR1
SCHEMBL9254476 0.83 CHRNB2 (0.51) MEN1KMT2AALDH1A1L3MBTL1EPHX2
SCHEMBL8104991 0.82 ALDH1A1 (0.49) MEN1KMT2AALDH1A1L3MBTL1NPSR1
SCHEMBL8121245 0.82 ALDH1A1 (0.48) MEN1KMT2AALDH1A1L3MBTL1EPHX2
SCHEMBL31227749 0.81 ALDH1A1 (0.50) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL17725794 0.81 HCRTR2 (0.60) MEN1KMT2ATSHRHCRTR2

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-0588917-B1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LAB (US) 2000-11-08 EP disclosed
US-5409946-A Antiepileptic agent ABBOTT LABORATORIES (US) 1995-04-25 US disclosed