SCHEMBL27473142

SCHEMBL27473142

CC(C)(C)OC(=O)c1ccc(C(=O)O)c(N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.40
GABRG2 P18507 9/20 0.40
GABRB3 P28472 9/20 0.40
GABRA3 P34903 9/20 0.40
GABRA2 P47869 9/20 0.40
GABRA5 P31644 8/20 0.40
GABRA6 Q16445 7/20 0.40
GABRA4 P48169 6/20 0.40
GABRP O00591 4/20 0.40
GABRD O14764 4/20 0.40
GABRB1 P18505 4/20 0.40
GABRB2 P47870 4/20 0.40
GABRE P78334 4/20 0.40
GABRG1 Q8N1C3 4/20 0.40
GABRG3 Q99928 4/20 0.40
GABRQ Q9UN88 4/20 0.40
HPGDS O60760 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
GRM6 O15303 1/20 0.36
ALDH1A1 P00352 3/20 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
SCHEMBL27486965 0.86 KDM4E (0.41) ALDH1A1CA12CA1CA2CA9
SCHEMBL27907009 0.82 KDM4E (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2558805 0.81 HPGDS (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL27803032 0.78 HPGDS (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL14957462 0.77 NAPRT (0.48) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL27788813 0.76 GABRP (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL28085715 0.75 GABRP (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL27487328 0.74 ALDH1A1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL27946211 0.74 LMNA (0.34) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL28251522 0.73 CA12 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA2

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
CN-100522961-C Amide substituted xanthine derivatives with gluconeogenesis modulating activity HOFFMANN LA ROCHE (CH) 2009-08-05 CN disclosed
CN-1659168-A Amide-substituted xanthine derivatives having gluconeogenesis modulating activity HOFFMANN LA ROCHE (CH) 2005-08-24 CN disclosed
CN-1522698-A Antivirals ά 2004-08-25 CN disclosed
CN-1158261-C Antiviral medicine ά 2004-07-21 CN disclosed
CN-1292781-A Antiviral medicine MEDIVIR AB (SE) 2001-04-25 CN disclosed