SCHEMBL5012502

SCHEMBL5012502

CC[CH]c1ccccc1-c1ccccc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
DPP4 P27487 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
BCL2L1 Q07817 1/20 0.37
CYP2A6 P11509 1/20 0.37
MAPK1 P28482 1/20 0.37
ADRB2 P07550 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CASP3 P42574 1/20 0.34

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
SCHEMBL1864858 0.91 GRIN2D (0.43) PTGS2DPP4PDCD1CD274GRIN2D
SCHEMBL5013849 0.86 PTGS2 (0.35) PTGS2DPP4PDCD1CD274GRIN2D
SCHEMBL3128296 0.85 FLT3 (0.41) PTGS2DPP4PDCD1CD274GRIN2D
SCHEMBL5010170 0.79 TSHR (0.40) DPP4ALDH1A1MAPK1SMN1; SMN2CASP3
SCHEMBL5011004 0.78 PTGS2 (0.41) PTGS2DPP4PDCD1CD274GRIN2D
SCHEMBL4720996 0.78 GRIN2D (0.40) PTGS2DPP4PDCD1CD274GRIN2D
SCHEMBL5008921 0.77 TSHR (0.41) DPP4ALDH1A1MAPK1SMN1; SMN2CASP3
SCHEMBL6041126 0.75 SOAT1 (0.39) DPP4PDCD1CD274GRIN2DGRIN3B
Butane SCHEMBL15105003 0.74 PTGS2 (0.48) PTGS2DPP4PDCD1CD274ALDH1A1
SCHEMBL29506697 0.74 LMNA (0.52) PTGS2GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed