SCHEMBL4740436

SCHEMBL4740436

CC(C)(C)OC(=O)c1c[nH]c(I)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 10/20 0.41
GABRB3 P28472 10/20 0.41
GABRA5 P31644 9/20 0.41
GABRA1 P14867 9/20 0.41
GABRA3 P34903 9/20 0.41
GABRA2 P47869 9/20 0.41
GABRA6 Q16445 7/20 0.37
GABRA4 P48169 5/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRE P78334 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37
HPGDS O60760 1/20 0.35
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL159836 0.81 GABRA1 (0.39) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL28868370 0.81 GABRA1 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL4636005 0.79 GABRA1 (0.37) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL5524714 0.78 HPGDS (0.34) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL10067534 0.77 ALDH1A1 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7373191 0.77 GABRP (0.33) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL4747477 0.76 GABRA1 (0.35) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3794190 0.76 GABRA1 (0.35) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL18048108 0.74 LCK (0.37) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL8647610 0.73 CYP1A2 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008096360-A2 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2008-08-14 WO disclosed