SCHEMBL3346084

SCHEMBL3346084

CCCCOC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
SPHK1 Q9NYA1 1/20 0.37
NAAA Q02083 1/20 0.35
USP2 O75604 1/20 0.35
GPR119 Q8TDV5 9/20 0.34
ALDH1A1 P00352 1/20 0.34
NR1H2 P55055 1/20 0.34
PRKCA P17252 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL18497293 0.86 KMT2A (0.39) SMN1; SMN2LMNAUSP2ALDH1A1NR1H2
SCHEMBL571404 0.82 USP2 (0.42) SMN1; SMN2USP2ALDH1A1NR1H2
SCHEMBL20826636 0.80 USP2 (0.40) SMN1; SMN2USP2ALDH1A1NR1H2
SCHEMBL20129092 0.77 SPHK1 (0.44) SMN1; SMN2SPHK1USP2NR1H2TLR8
SCHEMBL22906696 0.77 SPHK1 (0.44) SMN1; SMN2SPHK1USP2NR1H2TLR8
SCHEMBL6914197 0.77 USP2 (0.40) SMN1; SMN2USP2GPR119NR1H2
SCHEMBL19008242 0.76 USP2 (0.42) SMN1; SMN2SPHK1USP2NR1H2
SCHEMBL570830 0.76 USP2 (0.42) SMN1; SMN2USP2GPR119NR1H2
SCHEMBL18696436 0.76 USP2 (0.42) SMN1; SMN2USP2GPR119NR1H2
SCHEMBL21098215 0.76 USP2 (0.34) SMN1; SMN2LMNAUSP2NR1H2

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
WO-2010132770-A1 TREATMENT OF KLEBSIELLA PNEUMONIAE INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010042850-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 WO disclosed