SCHEMBL8000274

SCHEMBL8000274

NCCN(CCCCl)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR3 A8MPY1 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
HDAC3 O15379 1/20 0.31
GABBR2 O75899 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRR2 P28476 1/20 0.31
SLC6A1 P30531 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 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
SCHEMBL3985289 0.83 GLRA1 (0.37) GABRR3GABRPGABRDHDAC3GABBR2
SCHEMBL19833104 0.80 ODC1 (0.32) GABRR3GABRPGABRDHDAC3GABBR2
SCHEMBL19925599 0.79 LMNA (0.43) GABRR3GABRPGABRDHDAC3GABBR2
SCHEMBL1162074 0.78 CA12 (0.48) HDAC3LMNATSHRHDAC4HDAC1
SCHEMBL4432164 0.77 LMNA (0.42) GABRR3GABRPGABRDHDAC3GABBR2
SCHEMBL11765090 0.76 CA12 (0.42) LMNATSHR
SCHEMBL13692258 0.75 NFKB1 (0.44) GABRR3GABRPGABRDHDAC3GABBR2
SCHEMBL31040409 0.75 LMNA (0.48) GABRR3GABRPGABRDHDAC3GABBR2
SCHEMBL3510313 0.75 ALDH1A1 (0.33) TSHR
Hydrochloric Acid SCHEMBL17101355 0.74 DNM1 (0.43) TSHRKMT2AHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746326-A4 OLIGOMERIC COMPOUNDS HAVING NITROGEN-CONTAINING LINKAGES ISIS PHARMACEUTICALS INC (US) 2000-06-14 EP disclosed
EP-0746326-A1 OLIGOMERIC COMPOUNDS HAVING NITROGEN-CONTAINING LINKAGES ISIS PHARMACEUTICALS, INC. (US) 1996-12-11 EP disclosed
WO-1995018623-A1 OLIGOMERIC COMPOUNDS HAVING NITROGEN-CONTAINING LINKAGES ISIS PHARMACEUTICALS, INC. (US) 1995-07-13 WO disclosed