SCHEMBL8077151

SCHEMBL8077151

C=CCCCCCCCCCn1c(=O)c(C)cn(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ADORA1 P30542 1/20 0.35
▸ ADORA2B P29275 3/20 0.35
▸ PDE4A P27815 3/20 0.34
▸ ADORA2A P29274 3/20 0.34
▸ PDE4B Q07343 3/20 0.34
▸ PDE4C Q08493 3/20 0.34
▸ PDE4D Q08499 3/20 0.34
▸ TSHR P16473 2/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL8007731 1.00 CNR2 (0.37) CNR2KMT2ASMN1; SMN2ADORA1ADORA2B
SCHEMBL7607945 0.98 CNR2 (0.38) CNR2KMT2ASMN1; SMN2ADORA1ADORA2B
SCHEMBL8435242 0.82 MGLL (0.40) CNR2KMT2AADORA2BPDE4AADORA2A
SCHEMBL7606566 0.80 TRPC5 (0.43) CNR2KMT2AADORA2BPDE4AADORA2A
SCHEMBL8071799 0.80 TRPC5 (0.43) CNR2KMT2AADORA2BPDE4AADORA2A
SCHEMBL7834052 0.77 PDE4A (0.40) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL8070920 0.75 ALDH1A1 (0.40) SMN1; SMN2ADORA2BTSHRHTTKDM4E
SCHEMBL8070923 0.75 LMNA (0.36) CNR2SMN1; SMN2ADORA2BPDE4APDE4B
SCHEMBL20495994 0.74 CYP3A4 (0.46) KMT2ASMN1; SMN2ADORA1ADORA2BPDE4A
SCHEMBL20495993 0.74 CYP3A4 (0.46) KMT2ASMN1; SMN2ADORA1ADORA2BPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0697873-A4 — — 1996-04-03 — — EP claimed
EP-0697873-A1 OLEFIN-SUBSTITUTED LONG CHAIN COMPOUNDS CELL THERAPEUTICS, INC. (US) 1996-02-28 — — EP claimed
WO-1994015606-A1 OLEFIN-SUBSTITUTED LONG CHAIN COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-07-21 — — WO claimed
US-6121270-A N-(EPOXYALKYL)XANTHINE DERIVATIVES WHICH MODULATE CELLULAR RESPONSES TO NOXIOUS, PRO-INFLAMMATORY STIMULI CELL THERAPEUTICS, INC. (US) 2000-09-19 — — US disclosed
US-5866576-A COMPOUNDS THAT ACT AS DRUGS ON THE CELLULAR AND BIOCHEMICAL LEVEL TO MODULATE CELLULAR RESPONSES TO NOXIOUS, PRO-INFLAMMATORY STIMULI. CELL THERAPEUTICS, INC. (US) 1999-02-02 — — US disclosed
US-5859017-A PREVENTING OR TREATING ALLERGIES; INHIBITING INTRACELLULAR GENERATION OF PHOSPHATIDIC ACID AND DIACYLGLYCEROL CELL THERAPEUTICS, INC. (US) 1999-01-12 — — US disclosed
EP-0662834-A4 NOVEL EPOXIDE-CONTAINING COMPOUNDS. CELL THERAPEUTICS INC (US) 1996-04-17 — — EP disclosed
EP-0697873-A4 — — 1996-04-03 — — EP disclosed
EP-0697873-A1 OLEFIN-SUBSTITUTED LONG CHAIN COMPOUNDS CELL THERAPEUTICS, INC. (US) 1996-02-28 — — EP disclosed
WO-1995026722-A1 METHOD FOR INHIBITING MAST CELL AND BASOPHIL ACTIVATION CELL THERAPEUTICS, INC. (US) 1995-10-12 — — WO disclosed
EP-0662834-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1995-07-19 — — EP disclosed
WO-1994015606-A1 OLEFIN-SUBSTITUTED LONG CHAIN COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-07-21 — — WO disclosed
WO-1994006431-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-03-31 — — WO disclosed
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