SCHEMBL8018065

SCHEMBL8018065

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ PTGER4 P35408 2/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ ADORA2B P29275 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ TNF P01375 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 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 1.00 LMNA (0.36) LMNASMN1; SMN2KDM4EPTGER4CNR2
SCHEMBL8006375 0.98 KDM4E (0.35) LMNASMN1; SMN2KDM4EPTGER4CNR2
SCHEMBL7994402 0.86 ACLY (0.33) LMNASMN1; SMN2PTGER4CNR2TSHR
SCHEMBL7604999 0.84 TSHR (0.33) LMNASMN1; SMN2KDM4EPTGER4CNR2
SCHEMBL8071799 0.81 TRPC5 (0.43) KDM4ECNR2ADORA2BMAPTTDP1
SCHEMBL7606566 0.81 TRPC5 (0.43) KDM4ECNR2ADORA2BMAPTTDP1
SCHEMBL682184 0.80 TRPC5 (0.34) LMNASMN1; SMN2CNR2ADORA2BUSP2
SCHEMBL8374637 0.78 ADRA2A (0.38) LMNASMN1; SMN2KDM4EPTGER4CNR2
SCHEMBL7993479 0.78 ADRA2A (0.38) LMNASMN1; SMN2KDM4EPTGER4CNR2
SCHEMBL7610062 0.78 ADRA2A (0.38) LMNASMN1; SMN2KDM4EPTGER4CNR2

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
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