SCHEMBL8745342

SCHEMBL8745342

CCCCCCC(C#N)CC(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.41
GPR84 Q9NQS5 7/20 0.40
NAAA Q02083 1/20 0.38
DGKA P23743 1/20 0.38
FFAR1 O14842 1/20 0.38
MAPT P10636 3/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
TLR4 O00206 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL5961533 0.88 GAA (0.40) MEN1KMT2AL3MBTL1MGAMGAA
SCHEMBL4697923 0.85 ZDHHC7 (0.46) ZDHHC7GPR84FFAR1MAPTMEN1
SCHEMBL15030939 0.84 GAA (0.46) MEN1KMT2AMGAMGAASI
SCHEMBL4377165 0.81 RECQL (0.33) MAPTKMT2AATMMGAMGAA
SCHEMBL4386578 0.81 RECQL (0.33) MAPTKMT2AATMMGAMGAA
SCHEMBL4378153 0.81 RECQL (0.33) MAPTKMT2AATMMGAMGAA
Acetonitrile SCHEMBL21381900 0.81 GPR84 (0.53) ZDHHC7GPR84FFAR1MAPTMEN1
SCHEMBL12385422 0.80 GAA (0.43) MAPTMEN1KMT2AMGAMGAA
SCHEMBL9117613 0.79 DGKA (0.42) DGKAMAPTMEN1KMT2AATM
SCHEMBL3252079 0.79 GPR84 (0.44) GPR84FFAR1MAPTLCKPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707590-A1 DIDEOXYFRUCTONUCLEOTIDES AND DEOXYFRUCTONUCLEOTIDES AS DNA POLYMERASE SUBSTRATES DU PONT (US) 1996-04-24 EP disclosed
WO-1995001986-A1 DIDEOXYFRUCTONUCLEOTIDES AND DEOXYFRUCTONUCLEOTIDES AS DNA POLYMERASE SUBSTRATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-01-19 WO disclosed
US-5312903-A Lysine-glycosylated recombinant interleukin-2 E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-17 US disclosed
US-5276143-A Dideoxyfructonucleosides and deoxyfructonucleotides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-01-04 US disclosed
US-5254676-A Oligosaccharide inhibitors for influenza virus E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-10-19 US disclosed
US-5220008-A Oligosaccharide inhibitors for influenza virus E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-15 US disclosed