SCHEMBL6666047

SCHEMBL6666047

CC(C)C(=C(CCN)C(=O)O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 4/20 0.39
GABRP O00591 3/20 0.34
GABRD O14764 3/20 0.34
GABRA1 P14867 3/20 0.34
GABRB1 P18505 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA5 P31644 3/20 0.34
GABRA3 P34903 3/20 0.34
GABRA2 P47869 3/20 0.34
GABRB2 P47870 3/20 0.34
GABRA4 P48169 3/20 0.34
GABRE P78334 3/20 0.34
GABRA6 Q16445 3/20 0.34
GABRG1 Q8N1C3 3/20 0.34
GABRG3 Q99928 3/20 0.34
GABRQ Q9UN88 3/20 0.34
GRIK1 P39086 2/20 0.34
LMNA P02545 2/20 0.33
THRB P10828 2/20 0.33

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
SCHEMBL7574869 0.79 GABRR1 (0.43) GABRR1GABRPGABRDGABRA1GABRB1
SCHEMBL7574886 0.79 GABRR1 (0.43) GABRR1GABRPGABRDGABRA1GABRB1
SCHEMBL724564 0.75 GRIK1 (0.46) GABRR1GABRPGABRDGABRA1GABRB1
SCHEMBL7120592 0.73 FNTA (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28255243 0.73 ALDH1A1 (0.42) GRIK1GRIA4GRIK3GRIK5CYP2D6
SCHEMBL4592350 0.71 GRIK1 (0.50) GABRR1GABRPGABRDGABRA1GABRB1
Chloromethane SCHEMBL203881 0.71 GRIK1 (0.43) GABRR1GABRPGABRDGABRA1GABRB1
SCHEMBL800657 0.69
SCHEMBL170246 0.68 GABRR1 (0.37) GABRR1GABRPGABRDGABRA1GABRB1
Ethylenediamine SCHEMBL11706753 0.68 GABRR1 (0.57) GABRR1CYP1A2SLC7A5

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-20040171768-A1 Polyester diol, polyurethane obtained therefrom and spandex filament thereof and a novel dialkylamino group-contained acrylic-based copolymer, polyurethane composition and spandex composition MIHO TAKUYA (JP) 2004-09-02 US disclosed
EP-1452553-A1 UV absorbing polyurethane and spandex fibre derived therefrom Daicel Chemical Industries, Ltd. (JP) 2004-09-01 EP disclosed
US-20030135010-A1 Polyester diol and derived polyurethane and acrylic copolymer ENDO TOSHIO (JP) 2003-07-17 US disclosed
US-6500911-B1 SPANDEX FILAMENTS WITH IMPROVED ELASTICITY, TENSILE STRENGTH, AND RESISTANCE TO HYDROLYSIS; POLYESTERURETHANE WITH ADIPIC ACID AND CAPROLACTONE AS ESTER MONOMERS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-31 US disclosed
EP-1114839-A1 POLYESTER DIOL, POLYURETHANE OBTAINED THEREFROM AND SPANDEX FILAMENT THEREOF, AND NOVEL DIALKYLAMINO-CONTAINING ACRYLIC COPOLYMER, POLYURETHANE COMPOSITION, AND SPANDEX COMPOSITION DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) 2001-07-11 EP disclosed