SCHEMBL8006375

SCHEMBL8006375

Cc1cn(C)c(=O)n(CCCCC(C)O)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TNF P01375 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
ACHE P22303 1/20 0.32
PDE4A P27815 1/20 0.32
ADORA2B P29275 1/20 0.32
PMP22 Q01453 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
CNR2 P34972 3/20 0.31

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
SCHEMBL8070923 0.98 LMNA (0.36) KDM4ELMNASMN1; SMN2TNFRXFP1
SCHEMBL8018065 0.98 LMNA (0.36) KDM4ELMNASMN1; SMN2TNFRXFP1
SCHEMBL7604999 0.85 TSHR (0.33) KDM4ELMNASMN1; SMN2TNFRXFP1
SCHEMBL7994402 0.84 ACLY (0.33) LMNASMN1; SMN2TSHRCNR2TRPC5
SCHEMBL682184 0.81 TRPC5 (0.34) LMNASMN1; SMN2TNFRXFP1USP2
SCHEMBL7606566 0.80 TRPC5 (0.43) KDM4ETSHRPDE4AADORA2BPDE4B
SCHEMBL8071799 0.80 TRPC5 (0.43) KDM4ETSHRPDE4AADORA2BPDE4B
SCHEMBL7611532 0.78 MEN1 (0.37) ALDH1A1CNR2PTGER4
SCHEMBL7834052 0.77 PDE4A (0.40) PDE4AADORA2BPDE4BPDE4CPDE4D
SCHEMBL9123408 0.77 PDE4A (0.52) LMNASMN1; SMN2TNFRXFP1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6133274-A TREATING DISEASE MEDIATED BY INTRACELLULAR SIGNALING THROUGH ONE OR TWO SPECIFIC INTRACELLULAR SIGNALING PATHWAYS; A XANTHINYL HAVING AT LEAST ONE NITROGEN SUBSTITUTED BY AN HYDROXYALKYL; ANTITUMOR,-CARCINOGENIC,-ARTHRITIC AGENTS CELL THERAPEUTICS, INC. (US) 2000-10-17 US disclosed
US-5780476-A ADMINISTERING TO TREAT INFLAMMATORY DISEASE AND RHEUMATOID ARTHITIS CELL THERAPEUTICS, INC. (US) 1998-07-14 US disclosed
EP-0669825-A4 HYDROXYL-CONTAINING COMPOUNDS. CELL THERAPEUTICS INC (US) 1996-04-03 EP disclosed
EP-0669825-A1 HYDROXYL-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1995-09-06 EP disclosed
WO-1994011001-A1 HYDROXYL-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-05-26 WO disclosed