Butadiene

Butadiene

SCHEMBL4458837

C=CC=C.CC1CC1=Cc1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNA7 P36544 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CYP19A1 P11511 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP1A2 P05177 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL118039 0.92 CHRNB2 (0.46) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
Styrene SCHEMBL693301 0.90 ALDH1A1 (0.54) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
Styrene SCHEMBL4895288 0.90 ALDH1A1 (0.54) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
Acrylonitrile SCHEMBL8754554 0.85 CHRNB2 (0.37) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3693208 0.85 MAOB (0.44) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
Bicarbonate SCHEMBL14660281 0.84 HPGD (0.41) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7939095 0.82 HPGD (0.41) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
Styrene SCHEMBL16432075 0.82 ALDH1A1 (0.41) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
Silicate SCHEMBL11242395 0.81 HPGD (0.40) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5406615 0.79 ACHE (0.35) HPGDCHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791907-A4 STYRENE-BASED THERMOPLASTIC RESIN COMPOSITIONS LG CHEMICAL LTD (KR) 2009-09-09 EP claimed
EP-1791907-A1 STYRENE-BASED THERMOPLASTIC RESIN COMPOSITIONS LG Chem Ltd. (KR) 2007-06-06 EP claimed
WO-2006033547-A1 STYRENE-BASED THERMOPLASTIC RESIN COMPOSITIONS LG CHEM, LTD. (KR) 2006-03-30 WO claimed
EP-1791907-A4 STYRENE-BASED THERMOPLASTIC RESIN COMPOSITIONS LG CHEMICAL LTD (KR) 2009-09-09 EP disclosed
EP-1791907-A1 STYRENE-BASED THERMOPLASTIC RESIN COMPOSITIONS LG Chem Ltd. (KR) 2007-06-06 EP disclosed
WO-2006033547-A1 STYRENE-BASED THERMOPLASTIC RESIN COMPOSITIONS LG CHEM, LTD. (KR) 2006-03-30 WO disclosed