SCHEMBL7992678

SCHEMBL7992678

C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2nn(CC(=O)O)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
HTT P42858 2/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HRH2 P25021 2/20 0.39
HRH1 P35367 2/20 0.39
CTSK P43235 1/20 0.38
ATM Q13315 1/20 0.37
PDK2 Q15119 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL7988835 0.89 KMT2A (0.42) ITGB3ITGA2BGAAALDH1A1TSHR
SCHEMBL7989242 0.83 HTT (0.51) ITGB3ITGA2BHTTGAAALDH1A1
SCHEMBL7992556 0.80 ITGB3 (0.45) ITGB3ITGA2BHTTGAAALDH1A1
SCHEMBL7992560 0.80 ITGB3 (0.45) ITGB3ITGA2BHTTGAAALDH1A1
SCHEMBL7986455 0.79 ADORA1 (0.43) ITGB3ITGA2BGAAALDH1A1HRH2
SCHEMBL7988252 0.78 ITGB3 (0.68) ITGB3ITGA2BHTTGAAALDH1A1
SCHEMBL7974848 0.77 ADORA1 (0.56) ITGB3ITGA2BHRH2HRH1CTSK
Trifluoroacetic Acid SCHEMBL7986432 0.76 ITGB3 (0.65) ITGB3ITGA2BHTTGAAKMT2A
SCHEMBL28650975 0.75 CTSK (0.56) ALDH1A1CTSKATMKMT2AMAPT
SCHEMBL29758964 0.75 CTSK (0.56) ALDH1A1CTSKATMKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed