SCHEMBL7989242

SCHEMBL7989242

CC(C)(C)OC(=O)N1CCc2nn(CC(=O)O)cc2C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.49
ESR2 Q92731 1/20 0.47
NR1H2 P55055 2/20 0.46
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
PDK2 Q15119 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ADORA1 P30542 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL1879943 0.88 MAPT (0.49) HTTMAPTESR2NR1H2KMT2A
SCHEMBL7988759 0.86 KMT2A (0.50) HTTGAAMAPTESR2NR1H2
SCHEMBL7992678 0.83 ITGB3 (0.45) HTTGAAMAPTKMT2AALDH1A1
SCHEMBL5778678 0.83 MAPT (0.47) MAPTESR2NR1H2KMT2AALDH1A1
SCHEMBL20792550 0.82 MAPT (0.56) MAPTESR2NR1H2ALDH1A1TSHR
SCHEMBL16217165 0.81 MAPT (0.54) MAPTESR2NR1H2PDK2MAPK1
SCHEMBL16379671 0.80 MAPT (0.53) HTTMAPTESR2NR1H2PDK2
SCHEMBL16220604 0.80 MAPT (0.53) MAPTESR2NR1H2PDK2MAPK1
SCHEMBL30915383 0.79 MAPT (0.54) HTTMAPTESR2NR1H2ALDH1A1
SCHEMBL6893628 0.78 NR1H2 (0.40) HTTGAAMAPTESR2NR1H2

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
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed