SCHEMBL571336

SCHEMBL571336

CCOC(=O)C1(O)CC1NC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 3/20 0.46
ROCK2 O75116 1/20 0.46
ADAM17 P78536 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CPB1 P15086 1/20 0.45
EPHX1 P07099 1/20 0.43
CYP3A4 P08684 3/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL10107900 1.00 ALDH1A1 (0.48) ALDH1A1GAATSHRROCK2ADAM17
SCHEMBL10150813 1.00 ALDH1A1 (0.48) ALDH1A1GAATSHRROCK2ADAM17
SCHEMBL11932568 0.85 ALDH1A1 (0.53) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL570962 0.85 ALDH1A1 (0.53) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL9254931 0.85 ALDH1A1 (0.48) ALDH1A1GAATSHRROCK2ADAM17
SCHEMBL10167612 0.81 ALDH1A1 (0.55) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL31141108 0.77 ALDH1A1 (0.54) ALDH1A1GAATSHRROCK2CPB1
SCHEMBL571048 0.77 ROCK2 (0.42) ALDH1A1GAATSHRROCK2ADAM17
SCHEMBL31641122 0.75 ALDH1A1 (0.58) ALDH1A1GAATSHRROCK2CPB1
SCHEMBL12503473 0.75 ROCK2 (0.41) ALDH1A1GAATSHRROCK2ADAM17

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 74 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-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-8524675-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-09-03 US disclosed
US-8524675-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
US-8524689-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-09-03 US disclosed
US-8492354-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-07-23 US disclosed
WO-2011044503-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO 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-2010132768-A1 ANTIBACTERIAL DERIVATIVES OF SISOMICIN 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-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