SCHEMBL4375343

SCHEMBL4375343

CC(C)(C)OC(=O)c1c[nH]c2ccc(I)cc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.53
GABRB3 P28472 2/20 0.53
GABRA5 P31644 2/20 0.53
GABRA1 P14867 1/20 0.53
GABRA3 P34903 1/20 0.53
GABRA2 P47869 1/20 0.53
NR4A2 P43354 9/20 0.50
CREBBP Q92793 1/20 0.43
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL30009696 0.89 NR4A2 (0.50) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL6991795 0.84 NR4A2 (0.51) NR4A2CREBBPLMNAMAPTNPSR1
SCHEMBL15300704 0.84 NR4A2 (0.70) NR4A2CREBBPF7F3LMNA
SCHEMBL15557355 0.83 KDM4E (0.54) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL1007089 0.83 NR4A2 (0.50) NR4A2CREBBPF7F3LMNA
SCHEMBL6699986 0.83 NR4A2 (0.72) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL6986880 0.83 NR4A2 (0.72) GABRA1GABRA3NR4A2CREBBP
SCHEMBL6630345 0.82 NR4A2 (0.49) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL5960313 0.82 HSD17B10 (0.50) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL6687146 0.81 NR4A2 (0.48) GABRG2GABRB3GABRA1GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed