SCHEMBL8399126

SCHEMBL8399126

CCCCN(CCCC)CCCC(CC)OC(=O)OC(CC)CCCN(CCCC)CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.41
PRKCD Q05655 2/20 0.41
CTSK P43235 2/20 0.37
CA1 P00915 4/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
KDM5A P29375 3/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
DRD3 P35462 1/20 0.35
SCN1A P35498 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35

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
Hydrochloric Acid SCHEMBL8562949 0.97 PRKCA (0.39) PRKCAPRKCDCTSKCA1CA12
SCHEMBL8395863 0.88 FAAH (0.40) KDM5ALMNAPHF8KDM4CMAPK1
Hydrochloric Acid SCHEMBL8565782 0.86 FAAH (0.39) KDM5APHF8KDM4CMAPK1THRA
SCHEMBL608474 0.85 PRKCA (0.51) PRKCAPRKCDCTSKCA1CYP3A4
SCHEMBL120461 0.83 PRKCA (0.46) PRKCAPRKCDCTSKCA1LMNA
SCHEMBL7647164 0.81 GPR84 (0.45) PRKCAPRKCDLMNACA2MAPK1
SCHEMBL11201359 0.81 GPR84 (0.45) PRKCAPRKCDLMNACA2MAPK1
SCHEMBL7643858 0.81 GPR84 (0.45) PRKCAPRKCDLMNACA2MAPK1
SCHEMBL27810714 0.81 GPR84 (0.45) PRKCAPRKCDLMNACA2MAPK1
SCHEMBL8394687 0.80 FAAH (0.45) CA1CA12CA9KDM5ALMNA

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