SCHEMBL8199208

SCHEMBL8199208

CC(C)C[C@H]1C(=O)OCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.34
USP2 O75604 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MMP3 P08254 1/20 0.33
ADAM17 P78536 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPN1 P18031 1/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL28400350 0.82 USP2 (0.44) ATMUSP2ALDH1A1MEN1KMT2A
SCHEMBL28398203 0.82 USP2 (0.41) ATMUSP2ALDH1A1MEN1KMT2A
SCHEMBL27660609 0.80 ATM (0.34) ATMUSP2ALDH1A1MEN1KMT2A
SCHEMBL22534100 0.80 ATM (0.36) ATMUSP2ALDH1A1MEN1KMT2A
SCHEMBL16578256 0.80 ALDH1A1 (0.35) ATMUSP2ALDH1A1MEN1KMT2A
SCHEMBL28830014 0.80 ATM (0.34) ATMUSP2ALDH1A1MEN1KMT2A
SCHEMBL8224891 0.80 ATM (0.36) ATMUSP2ALDH1A1MEN1KMT2A
SCHEMBL13475327 0.78 ATM (0.35) ATMUSP2ALDH1A1MEN1KMT2A
SCHEMBL14628202 0.78 ATM (0.35) ATMUSP2ALDH1A1MEN1KMT2A
SCHEMBL15083263 0.77 ALDH1A1 (0.38) ATMUSP2ALDH1A1MEN1KMT2A

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-6043278-A FORMULATION COMPRISING MIXTURE OF BETA-LACTAM ANTIBIOTIC AND PERFLUOROLOWERALKYL DERIVATIVE OF AMINO ACID ISIS INNOVATION LIMITED (GB) 2000-03-28 US disclosed