SCHEMBL8995930

SCHEMBL8995930

O=C1C=CC(=O)N1c1ccccc1-c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.72
HSP90AA1 P07900 2/20 0.60
TLR9 Q9NR96 2/20 0.50
PIN1 Q13526 1/20 0.46
FAAH O00519 2/20 0.43
NR1H2 P55055 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
MAPK1 P28482 1/20 0.42
PTGS2 P35354 1/20 0.42
HTR2B P41595 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.41
CCR6 P51684 1/20 0.41

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
SCHEMBL9719950 0.86 MGLL (0.88) MGLLHSP90AA1TLR9FAAHNR1H2
SCHEMBL30398083 0.84 MGLL (1.00) MGLLHSP90AA1TLR9FAAHNR1H2
SCHEMBL3768557 0.84 MGLL (1.00) MGLLHSP90AA1TLR9FAAHNR1H2
SCHEMBL2900895 0.78 MGLL (0.73) MGLLHSP90AA1TLR9FAAHNR1H2
SCHEMBL6832688 0.76 TLR9 (0.76) MGLLHSP90AA1TLR9FAAHALDH1A1
SCHEMBL1087460 0.76 HSP90AA1 (0.58) MGLLHSP90AA1TLR9PIN1FAAH
SCHEMBL571682 0.75 HSP90AA1 (1.00) MGLLHSP90AA1FAAHALDH1A1TDP1
SCHEMBL28616908 0.74 MGLL (0.73) MGLLHSP90AA1TLR9FAAHALDH1A1
SCHEMBL12367620 0.72 ALDH1A1 (0.65) ALDH1A1TDP1HSD17B10ALOX15TSHR
SCHEMBL28624878 0.71 MGLL (0.73) MGLLHSP90AA1TLR9FAAHNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0570825-B1 Tire sidewall composition containing silica having low PH GOODYEAR TIRE & RUBBER (US) 1996-08-07 EP disclosed
EP-0475215-B1 Carboxylic acid esters with thio groups GOODYEAR TIRE & RUBBER (US) 1994-10-19 EP disclosed
EP-0570825-A1 Tire sidewall composition containing silica having low PH THE GOODYEAR TIRE & RUBBER COMPANY (US) 1993-11-24 EP disclosed
US-5244028-A Natural rubber or polybutadiene, silica, antidegradation agent, carbon black THE GOODYEAR TIRE & RUBBER COMPANY (US) 1993-09-14 US disclosed
US-5216049-A A phenolic or amine stabilizer and an organothioalkylene styrene bound to a polymer; aging resistance; rubbers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1993-06-01 US disclosed
EP-0475215-A1 Carboxylic acid esters with thio groups THE GOODYEAR TIRE & RUBBER COMPANY (US) 1992-03-18 EP disclosed
US-5069819-A SYNERGISTS FOR CONVENTIONAL PHENOLIC AND AMINE ANTIOXIDANTS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-12-03 US disclosed