SCHEMBL2930739

SCHEMBL2930739

CC(C)(C)OC(=O)NC1(C(=O)O)CCC1.CCOC(=O)C1(N)CCC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GHSR Q92847 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.31
LATS1 O95835 1/20 0.30

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
SCHEMBL1351011 0.84 LATS1 (0.37) CYP2C19CYP1A2CYP2C9HTTSMN1; SMN2
SCHEMBL202837 0.82 BTK (0.38) GHSRMEN1KMT2A
SCHEMBL76966 0.79 BTK (0.38) GHSRMEN1ALDH1A1KMT2A
SCHEMBL583634 0.78 KMT2A (0.38) CYP2C19CYP1A2CYP2C9HTTSMN1; SMN2
SCHEMBL8981350 0.78 FAAH (0.39) GHSRMEN1KMT2A
SCHEMBL8980908 0.78 FAAH (0.39) GHSRMEN1KMT2A
SCHEMBL496169 0.78 FAAH (0.39) GHSRMEN1KMT2A
SCHEMBL1012064 0.78 FAAH (0.39) GHSRMEN1KMT2A
SCHEMBL550992 0.78 FAAH (0.39) GHSRMEN1KMT2A
SCHEMBL4675685 0.78 CYP1A2 (0.39) CYP2C19CYP1A2CYP2C9HTTSMN1; SMN2

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
EP-2217610-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Achaogen, Inc. (US) 2010-08-18 EP disclosed
WO-2009067692-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2009-05-28 WO disclosed