SCHEMBL570962

SCHEMBL570962

O=C(NC1CC1(O)C(=O)O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.51
EPHX1 P07099 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CPB1 P15086 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAAA Q02083 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MGLL Q99685 1/20 0.45

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
SCHEMBL11932568 1.00 ALDH1A1 (0.53) ALDH1A1GAATSHREPHX1CA12
SCHEMBL10107900 0.85 ALDH1A1 (0.48) ALDH1A1GAATSHREPHX1CPB1
SCHEMBL571336 0.85 ALDH1A1 (0.48) ALDH1A1GAATSHREPHX1CPB1
SCHEMBL10150813 0.85 ALDH1A1 (0.48) ALDH1A1GAATSHREPHX1CPB1
SCHEMBL10167612 0.84 ALDH1A1 (0.55) ALDH1A1GAATSHREPHX1CPB1
SCHEMBL10167705 0.80 ALDH1A1 (0.60) ALDH1A1GAATSHREPHX1CA1
SCHEMBL10196993 0.80 ALDH1A1 (0.60) ALDH1A1GAATSHREPHX1CA1
SCHEMBL16486447 0.79 ALDH1A1 (0.56) ALDH1A1GAATSHREPHX1CPB1
SCHEMBL21946019 0.77 ALDH1A1 (0.60) ALDH1A1GAATSHREPHX1CA1
SCHEMBL21945751 0.77 ALDH1A1 (0.60) ALDH1A1GAATSHREPHX1CA1

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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47741-E1 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2019-11-26 US disclosed
US-RE47741-E1 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2019-11-26 US disclosed
US-8658606-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2014-02-25 US disclosed
US-8658606-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2014-02-25 US disclosed
US-8658606-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2014-02-25 US disclosed
US-8653042-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2014-02-18 US disclosed
US-8653042-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2014-02-18 US disclosed
US-8653042-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2014-02-18 US disclosed
US-8524689-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-09-03 US disclosed
US-8524689-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-09-03 US disclosed
WO-2010132839-A2 AMINOGLYCOSIDE DOSING REGIMENS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132839-A2 AMINOGLYCOSIDE DOSING REGIMENS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132760-A1 ANTIBACTERIAL DERIVATIVES OF TOBRAMYCIN ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132759-A1 ANTIBACTERIAL DERIVATIVES OF DIBEKACIN ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132759-A1 ANTIBACTERIAL DERIVATIVES OF DIBEKACIN ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132768-A1 ANTIBACTERIAL DERIVATIVES OF SISOMICIN ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132765-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132757-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132757-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010042851-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 WO disclosed