SCHEMBL27872243

SCHEMBL27872243

CC1CC1(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
BTK Q06187 1/20 0.37
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
EPHX2 P34913 1/20 0.34
GAA P10253 3/20 0.33
CACNA1H O95180 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
EPHX1 P07099 1/20 0.33
APLNR P35414 1/20 0.33
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 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
SCHEMBL4643135 1.00 MEN1 (0.43) MEN1KMT2AMAPK1BTKNFKB1
SCHEMBL16409149 0.86 MEN1 (0.43) MEN1KMT2AMAPK1BTKNFKB1
SCHEMBL12557612 0.85 BTK (0.38) MEN1KMT2AMAPK1BTKNFKB1
SCHEMBL15424518 0.84 MAPK1 (0.42) MEN1KMT2AMAPK1BTKNFKB1
SCHEMBL20629740 0.84 MAPK1 (0.42) MEN1KMT2AMAPK1BTKNFKB1
SCHEMBL15424510 0.84 MAPK1 (0.42) MEN1KMT2AMAPK1BTKNFKB1
SCHEMBL2630592 0.84 KMT2A (0.42) MEN1KMT2AMAPK1BTKNFKB1
SCHEMBL18799610 0.83 MEN1 (0.41) MEN1KMT2AMAPK1BTKNFKB1
SCHEMBL28564855 0.81 KMT2A (0.40) MEN1KMT2AMAPK1BTKNFKB1
SCHEMBL9666907 0.80 KMT2A (0.39) MEN1KMT2AMAPK1BTKGAA

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
CN-102481307-A Treatment of klebsiella pneumoniae infections with antibacterial aminoglycoside compounds ACHAOGEN INC 2012-05-30 CN disclosed
CN-102481306-A Treatment of urinary tract infections with antibacterial aminoglycoside compounds ACHAOGEN INC 2012-05-30 CN disclosed