SCHEMBL8004971

SCHEMBL8004971

CC(N)OCCOCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
CTH P32929 1/20 0.36
CBS P35520 1/20 0.36
THPO P40225 1/20 0.36
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35
GABRQ Q9UN88 2/20 0.35

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
SCHEMBL2945712 0.83 ALDH1A1 (0.35) TSHRCTHCBSTHPOTHRB
SCHEMBL1513790 0.82
SCHEMBL1830781 0.82 EPHX2 (0.30) TSHRCTHCBSTHPOEPHX2
SCHEMBL20175906 0.81 EPHX2 (0.35) TSHRCTHCBSTHPOTHRB
SCHEMBL20175905 0.81 EPHX2 (0.35) TSHRCTHCBSTHPOTHRB
SCHEMBL2950439 0.81 EPHX2 (0.35) TSHRCTHCBSTHPOTHRB
SCHEMBL2946936 0.81 EPHX2 (0.35) TSHRCTHCBSTHPOTHRB
SCHEMBL8401594 0.80 CACNA2D1 (0.33) TSHRCTHCBSTHPOTHRB
SCHEMBL12119519 0.78 TDP1 (0.41) TSHRCTHCBSTHPOEPHX2
SCHEMBL6663291 0.78 MEN1 (0.33) TSHRCTHCBSTHPOEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143895-A TETRAHYDROQUINOLINONE COMPOUND TREGA BIOSCIENCES, INC. (US) 2000-11-07 US disclosed
EP-0739356-B1 POLYCLONAL ANTIBODY TO PNA/NUCLEIC ACID COMPLEXES DAKO AS (DK) 2000-06-28 EP disclosed
US-6045755-A FLEXIBLE, HIGH-THROUGHPUT, SYNTHETIC ROBOT APPARATUS FOR COMBINATORIAL CHEMISTRY TREGA BIOSCIENCES,, INC. (US) 2000-04-04 US disclosed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP disclosed
US-5916899-A SOLID PHASE SYNTHESIS, REACTING PROTECTED AMINO ACID WITH SOLID SUPPORT; FORMING IMINE BY REACTION WITH ALDEHYDE, CYCLIZATION WITH ANHYDRIDE, CLEAVAGE AND DEPROTECTION. TREGA BIOSCIENCES, INC. (US) 1999-06-29 US disclosed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US disclosed
US-5840500-A OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS TREGA BIOSCIENCES, INC. (US) 1998-11-24 US disclosed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP disclosed
EP-0840751-A1 MONOCLONAL ANTIBODY CAPABLE OF BINDING TO PNA/NUCLEIC ACID COMPLEXES DAKO A/S (DK) 1998-05-13 EP disclosed
EP-0837884-A2 RECOMBINANT ANTIBODY CAPABLE OF BINDING TO PNA/NUCLEIC ACID COMPLEXES DAKO A/S (DK) 1998-04-29 EP disclosed
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO disclosed
US-5612458-A Antibody to PNA/nucleic acid complexes DAKO/AS (DK) 1997-03-18 US disclosed
WO-1996014341-A1 MONOCLONAL ANTIBODY CAPABLE OF BINDING TO PNA/NUCLEIC ACID COMPLEXES DAKO A/S (DK) 1996-05-17 WO disclosed
WO-1996012397-A2 RECOMBINANT ANTIBODY CAPABLE OF BINDING TO PNA/NUCLEIC ACID COMPLEXES DAKO A/S (DK) 1996-05-02 WO disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed