SCHEMBL1653919

SCHEMBL1653919

NCC(CC(=O)O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
KMT2A Q03164 3/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
ALDH1A1 P00352 5/20 0.45
LMNA P02545 2/20 0.45
PTPN1 P18031 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL9141654 0.83 ALDH1A1 (0.46) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL24361875 0.75 KMT2A (0.47) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL418323 0.75 TDP1 (0.47) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL16430301 0.74 CYP2C19 (0.47) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL673676 0.71 HIF1A (0.44) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL7695412 0.71 ALDH1A1 (0.56) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL27387254 0.71 ALDH1A1 (0.49) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL20325437 0.71 ALDH1A1 (0.41) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL8717382 0.70 KMT2A (0.44) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL16107130 0.70 TDP1 (0.42) TDP1KMT2ASLC6A2SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486044-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Achaogen, Inc. (US) 2012-08-15 EP disclosed
WO-2011044501-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-04-19 WO disclosed
WO-2011044501-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed