SCHEMBL7717438

SCHEMBL7717438

Oc1c(-c2ccc3c(c2-c2cccc(C4CCCCC4)c2O)Cc2ccccc2-3)cccc1C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 4/20 0.44
PTPN2 P17706 1/20 0.44
PNMT P11086 1/20 0.38
FEN1 P39748 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PGR P06401 1/20 0.34
HTR7 P34969 2/20 0.33
PTGS2 P35354 1/20 0.33
HTR1A P08908 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2B P41595 1/20 0.33
ALOX5AP P20292 3/20 0.32
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL7717433 0.81 PNMT (0.39) PNMTNPC1RAB9APGRHTR7
SCHEMBL6524402 0.80 PNMT (0.45) PTPN5PTPN2PNMTNPC1RAB9A
SCHEMBL28945985 0.80 PNMT (0.45) PTPN5PTPN2PNMTNPC1RAB9A
SCHEMBL27408016 0.79 PNMT (0.46) PTPN5PNMTNPC1RAB9AHTR7
SCHEMBL21626185 0.78 PTPN5 (0.52) PTPN5PTPN2FEN1PTGS2KDM4E
SCHEMBL28283976 0.78 PNMT (0.46) PNMTNPC1RAB9APGRHTR7
SCHEMBL5520332 0.77 PTPN5 (0.45) PTPN5PTPN2FEN1PTGS2ALDH1A1
SCHEMBL28323924 0.75 PNMT (0.47) PNMTNPC1RAB9APGRHTR7
SCHEMBL30855380 0.75 PGR (0.43) PNMTNPC1RAB9APGRHTR7
SCHEMBL3669757 0.74 PTPN5 (0.60) PTPN5PTPN2FEN1PTGS2MEN1

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-6388044-B1 THERMOSETTING POLYETHER; CROSSLINKING BY HEATING SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-14 US disclosed