SCHEMBL4746775

SCHEMBL4746775

CCC(C(=O)O)=C(C)CCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.44
CYP1A2 P05177 2/20 0.44
LMNA P02545 2/20 0.44
BLM P54132 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GABRR3 A8MPY1 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
HDAC3 O15379 1/20 0.44
GABBR2 O75899 1/20 0.44
GABRA1 P14867 1/20 0.44
TSHR P16473 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRR1 P24046 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRR2 P28476 1/20 0.44
SLC6A1 P30531 1/20 0.44
GABRA5 P31644 1/20 0.44

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
SCHEMBL1155838 0.92 PAOX (0.52) THRBCYP1A2LMNABLMKMT2A
SCHEMBL523846 0.87 THRB (0.36) THRBCYP1A2LMNABLMKMT2A
Bromide SCHEMBL7686683 0.85 THRB (0.35) THRBCYP1A2LMNABLMKMT2A
Hydrochloric Acid SCHEMBL9636093 0.85 THRB (0.35) THRBCYP1A2LMNABLMKMT2A
Chloromethane SCHEMBL6137819 0.83 THRB (0.34) THRBCYP1A2LMNABLMKMT2A
SCHEMBL1934407 0.83 PAOX (0.45) THRBCYP1A2LMNABLMKMT2A
SCHEMBL3259746 0.81 FNTA (0.59) THRBKMT2ATSHRHDAC11FNTA
SCHEMBL3259749 0.81 FNTA (0.59) THRBKMT2ATSHRHDAC11FNTA
SCHEMBL11476302 0.79 FNTA (0.62) THRBKMT2ATSHRHDAC11FNTA
Diethyl Sulfide SCHEMBL28279890 0.79 TSHR (0.34) THRBTSHRFNTAFNTBPGGT1B

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
WO-2008115389-A2 INKJET RECORDING MEDIA FOR METALLIC OR SEMI-METALLIC IMAGES HAVING A PRIMARILY INORGANIC MICRO POROUS INK-RECEPTIVE LAYER THAT INCORPORATES AN ETHYLENE IMINE POLYMER OR COPOLYMER NIGAM ASUTOSH (US) 2008-09-25 WO disclosed
EP-0140854-A2 Bacteria repellent surfaces ALFA-LAVAL AGRI INTERNATIONAL AB (SE) 1985-05-08 EP disclosed
WO-1985001507-A1 BACTERIA REPELLENT SURFACES ALFA-LAVAL AGRI INTERNATIONAL AB (SE) 1985-04-11 WO disclosed