SCHEMBL8158016

SCHEMBL8158016

C=Cc1cccc(-c2ccccc2)c1[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.36
ALDH1A1 P00352 5/20 0.35
METAP2 P50579 1/20 0.35
TNF P01375 1/20 0.35
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
HSD17B10 Q99714 2/20 0.32
HPGD P15428 2/20 0.32

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
SCHEMBL76904 0.76 ALDH1A1 (0.46) ATRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL29418124 0.76 ALDH1A1 (0.46) ATRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL7550211 0.76 PDCD1 (0.48) ALDH1A1AKT1AKT2GRIN2DGRIN3B
Water SCHEMBL8392319 0.74 ALDH1A1 (0.44) ATRALDH1A1GRIN2DGRIN3BGRIN1
Biphenyl SCHEMBL28948287 0.74 ALDH1A1 (0.44) ATRALDH1A1GRIN2DGRIN3BGRIN1
Hydrogen Sulfide SCHEMBL27523825 0.74 ALDH1A1 (0.44) ATRALDH1A1GRIN2DGRIN3BGRIN1
Water SCHEMBL8470277 0.74 ALDH1A1 (0.44) ATRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL28372677 0.74 ALDH1A1 (0.44) ATRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL30485479 0.74 ALDH1A1 (0.44) ATRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL4072769 0.73 IDO1 (0.36) ALDH1A1

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
US-6080819-A Blends of olefin polymers and syndiotactic vinyl polymers BOREALIS AG (AT) 2000-06-27 US claimed
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