SCHEMBL7988322

SCHEMBL7988322

CC(C)(C)OC(=O)Cn1ncc2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.47
MAPT P10636 2/20 0.47
HPGDS O60760 2/20 0.46
NR1H2 P55055 2/20 0.46
MAPK1 P28482 1/20 0.41
SLC34A1 Q06495 1/20 0.41
PDK2 Q15119 3/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
ADORA1 P30542 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NAMPT P43490 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL7975140 0.91 ESR2 (0.44) ESR2MAPTHPGDSNR1H2MAPK1
SCHEMBL7986367 0.91 ESR2 (0.47) ESR2MAPTHPGDSNR1H2MAPK1
SCHEMBL30171269 0.87 ESR2 (0.48) ESR2MAPTHPGDSNR1H2MAPK1
SCHEMBL1881390 0.86 ESR2 (0.47) ESR2MAPTHPGDSNR1H2MAPK1
SCHEMBL5777653 0.84 ESR2 (0.46) ESR2MAPTHPGDSNR1H2MAPK1
SCHEMBL20792551 0.82 MAPT (0.53) ESR2MAPTHPGDSNR1H2MAPK1
SCHEMBL16217166 0.81 ESR2 (0.52) ESR2MAPTHPGDSNR1H2MAPK1
SCHEMBL17868214 0.80 HPGDS (0.43) ESR2MAPTHPGDSNR1H2MAPK1
SCHEMBL17327937 0.80 ESR2 (0.51) ESR2MAPTHPGDSNR1H2MAPK1
SCHEMBL16220602 0.80 ESR2 (0.51) ESR2MAPTHPGDSNR1H2MAPK1

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