SCHEMBL8399782

SCHEMBL8399782

CC(C)CN(CCCC(C)OC(=O)OC(C)CCCN(CC(C)C)CC(C)C)CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
FAAH O00519 5/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.31
MBTD1 Q05BQ5 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4C Q9H3R0 2/20 0.30
KDM4A O75164 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL8399781 0.83 FAAH (0.39) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL48441 0.82 MBTD1 (0.35) FAAHCNR1CNR2KDM4EMBTD1
SCHEMBL8394687 0.81 FAAH (0.45) CA12CA1CA9FAAHCNR1
SCHEMBL8395380 0.81 FAAH (0.45) CA12CA1CA9FAAHCNR1
Hydrochloric Acid SCHEMBL8399760 0.80 LMNA (0.39) FAAHCNR1CNR2L3MBTL1ALDH1A1
SCHEMBL14991226 0.80 BLM (0.43) CA1FAAHCNR1CNR2KDM4C
Hydrochloric Acid SCHEMBL8563026 0.79 FAAH (0.43) CA12CA1CA9FAAHCNR1
Hydrochloric Acid SCHEMBL8398588 0.79 FAAH (0.43) CA12CA1CA9FAAHCNR1
SCHEMBL8395456 0.79 FAAH (0.50) FAAHCNR1CNR2KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL8398606 0.77 FAAH (0.49) FAAHCNR1CNR2KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748310-B1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 1999-06-02 EP disclosed
US-5827881-A ADMINISTERING FOR TREATMENT OF VIRAL DISEASES OR AS ANTIINFLAMMATORY AGENTS ITALFARMACO S.P.A. (IT) 1998-10-27 US disclosed
EP-0748310-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.p.A. (IT) 1996-12-18 EP disclosed
WO-1995023128-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.P.A. (IT) 1995-08-31 WO disclosed