SCHEMBL7541476

SCHEMBL7541476

C=Cc1cccc(-c2ccccc2)c1C=CCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 4/20 0.33
CD274 Q9NZQ7 4/20 0.33
CYP2A6 P11509 1/20 0.32
BCAT2 O15382 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BACE1 P56817 1/20 0.31
C1S P09871 1/20 0.31
SLC37A4 O43826 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTR7 P34969 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
PTGS2 P35354 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL132631 0.83 ALDH1A1 (0.40) PDCD1CD274CYP2A6ALDH1A1BACE1
Hydrogen Sulfide SCHEMBL27278162 0.81 ALDH1A1 (0.39) PDCD1CD274CYP2A6ALDH1A1BACE1
SCHEMBL27898116 0.80 ALDH1A1 (0.38) CYP2A6ALDH1A1CASP3SENP8SENP7
SCHEMBL28593309 0.78 ALDH1A1 (0.41) PDCD1CD274CYP2A6ALDH1A1CASP3
SCHEMBL1471407 0.78 BACE1 (0.43) CYP2A6BACE1GRIN2DGRIN3BGRIN1
SCHEMBL1024642 0.78 BACE1 (0.43) CYP2A6BACE1GRIN2DGRIN3BGRIN1
SCHEMBL17796300 0.77 ALDH1A1 (0.36) CYP2A6ALDH1A1CASP3SENP8SENP7
SCHEMBL27619476 0.76 ALDH1A1 (0.38) ALDH1A1
SCHEMBL8759097 0.75 ALDH1A1 (0.42) PDCD1CD274CYP2A6BCAT2ALDH1A1
Methacrylic Acid SCHEMBL28166868 0.74 HNF4A (0.36) PDCD1CD274BCAT2BACE1C1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080819-A Blends of olefin polymers and syndiotactic vinyl polymers BOREALIS AG (AT) 2000-06-27 US claimed
EP-1211284-A1 Semi-finished products or moulded materials of improved toughness made from propylene polymers Borealis GmbH (AT) 2002-06-05 EP disclosed
US-6080819-A Blends of olefin polymers and syndiotactic vinyl polymers BOREALIS AG (AT) 2000-06-27 US disclosed
EP-0884356-A2 Blends of polyolefins and syndiotactic vinyl polymeres PCD Polymere AG (AT) 1998-12-16 EP disclosed