SCHEMBL7986367

SCHEMBL7986367

CC(C)(C)OC(=O)N1CCc2c(cnn2CC(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

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 2/20 0.40
ADORA1 P30542 1/20 0.39
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
UCHL1 P09936 1/20 0.38
DTYMK P23919 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
SCHEMBL7988322 0.91 ESR2 (0.47) ESR2MAPTHPGDSNR1H2MAPK1
SCHEMBL30171269 0.87 ESR2 (0.48) ESR2MAPTHPGDSNR1H2MAPK1
SCHEMBL7975140 0.86 ESR2 (0.44) 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