SCHEMBL5011004

SCHEMBL5011004

C[CH]c1ccccc1-c1ccccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2A6 P11509 2/20 0.39
HPGD P15428 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MAPK1 P28482 1/20 0.39
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
BACE1 P56817 1/20 0.36
DPP4 P27487 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 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
SCHEMBL1566814 0.91 GRIN2D (0.46) PTGS2ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL3119922 0.84 FLT3 (0.43) PTGS2ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL5012502 0.78 PTGS2 (0.38) PTGS2ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL184258 0.77 LMNA (0.52) PTGS2ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL29506697 0.77 LMNA (0.52) PTGS2ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL4201594 0.77 ALDH1A1 (0.43) PTGS2ALDH1A1HSD17B10CYP2A6HPGD
Benzene SCHEMBL28725386 0.77 LMNA (0.52) PTGS2ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL608537 0.77 ALDH1A1 (0.58) PTGS2ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL192419 0.77 ALDH1A1 (0.58) PTGS2ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL29352295 0.77 ALDH1A1 (0.58) PTGS2ALDH1A1HSD17B10CYP2A6HPGD

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