SCHEMBL18548797

SCHEMBL18548797

CCOC(=O)C(C(=O)OCC)C(C#N)CC(C)C.CCOC(=O)C(CCC(=O)O)C(C#N)CC(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33
GABRQ Q9UN88 2/20 0.33
CYP1A2 P05177 1/20 0.33
FOLH1 Q04609 8/20 0.32
PLA2G10 O15496 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2223205 0.95 GABRP (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL261164 0.84 LMNA (0.37) ALDH1A1
SCHEMBL2637205 0.84 LMNA (0.37) ALDH1A1
SCHEMBL261165 0.84 LMNA (0.37) ALDH1A1
SCHEMBL262272 0.80 HTT (0.35) ALDH1A1
SCHEMBL3467830 0.80 HTT (0.35) ALDH1A1
SCHEMBL263453 0.80 HTT (0.35) ALDH1A1
SCHEMBL261441 0.80 HTT (0.35) ALDH1A1
SCHEMBL260952 0.80 HTT (0.35) ALDH1A1
SCHEMBL2920755 0.79 HTT (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10260059-B2 Nitrilase from arabis alpina, its encoding gene, vector, recombinant bacterial strain and uses thereof ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) 2019-04-16 US disclosed
US-10100297-B2 Nitrilase from arabis alpina, its encoding gene, vector, recombinant bacterial strain and uses thereof Zhejiang Chiral Medicine Chemicals Co. Ltd. (CN) 2018-10-16 US disclosed
US-20170355975-A1 NITRILASE FROM ARABIS ALPINA, ITS ENCODING GENE, VECTOR, RECOMBINANT BACTERIAL STRAIN AND USES THEREOF ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) 2017-12-14 US disclosed
US-20170355976-A1 NITRILASE FROM ARABIS ALPINA, ITS ENCODING GENE, VECTOR, RECOMBINANT BACTERIAL STRAIN AND USES THEREOF ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) 2017-12-14 US disclosed
US-20170058274-A1 NITRILASE FROM ARABIS ALPINA, ITS ENCODING GENE, VECTOR, RECOMBINANT BACTERIAL STRAIN AND USES THEREOF ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) 2017-03-02 US disclosed