SCHEMBL5350404

SCHEMBL5350404

CCCCc1c[c]c[c]c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 3/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA1 P00915 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PTGS2 P35354 4/20 0.37
CYP3A4 P08684 2/20 0.37
SKP2 Q13309 1/20 0.36
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TACR2 P21452 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35

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
SCHEMBL5348815 0.91 PTGS2 (0.47) CA2ALDH1A1HSD17B10PTGS2CYP3A4
SCHEMBL5350116 0.84
SCHEMBL298886 0.80 HPGD (0.45) CA2SMN1; SMN2HPGDNPC1MAPK1
SCHEMBL16960867 0.76 HPGD (0.42) CA2SMN1; SMN2HPGDNPC1MAPK1
SCHEMBL16961331 0.75 HPGD (0.41) CA2SMN1; SMN2HPGDNPC1MAPK1
SCHEMBL170953 0.73 PTGS2 (0.50) CA2CA1ALDH1A1HSD17B10PTGS2
SCHEMBL57607 0.73 CA2 (0.40) CA2SMN1; SMN2HPGDNPC1MAPK1
SCHEMBL9842685 0.73 NPC1 (0.44) CA2SMN1; SMN2HPGDNPC1MAPK1
SCHEMBL9346671 0.73 HPGD (0.39) CA2SMN1; SMN2HPGDNPC1MAPK1
SCHEMBL2254690 0.73 L3MBTL1 (0.44) CA2SMN1; SMN2HPGDNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291692-B2 Polyarylene oxide and method of producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-20050096452-A1 Polyarylene oxide and method of producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed