SCHEMBL8397192

SCHEMBL8397192

CCCCN(CCCC)CCCOC(=O)OCCCN(CCCC)CCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CHRM2 P08172 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR1A P08908 1/20 0.54
GAA P10253 1/20 0.54
CYP2D6 P10635 1/20 0.54
DRD3 P35462 1/20 0.54
SCN1A P35498 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KCNH2 Q12809 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN3A Q9NY46 1/20 0.54
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
ATM Q13315 1/20 0.43
NAAA Q02083 1/20 0.42

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 SCHEMBL8398226 0.98 LMNA (0.53) LMNACYP1A2CHRM2CYP3A4HTR1A
SCHEMBL8394576 0.92 NAAA (0.48) LMNACYP1A2CHRM2CYP3A4HTR1A
SCHEMBL8397178 0.92 NAAA (0.48) LMNACYP1A2CHRM2CYP3A4HTR1A
Hydrochloric Acid SCHEMBL8399761 0.88 NAAA (0.46) LMNACYP1A2CHRM2CYP3A4HTR1A
SCHEMBL28464565 0.87 ALDH1A1 (0.52) LMNACYP1A2CHRM2CYP3A4HTR1A
SCHEMBL8399137 0.84 CHRM2 (0.47) LMNACYP1A2CHRM2CYP3A4HTR1A
Water SCHEMBL8394542 0.84 LMNA (0.42) LMNACYP1A2CHRM2CYP3A4HTR1A
SCHEMBL8399785 0.83 DNM1 (0.49) LMNACYP1A2CHRM2CYP3A4HTR1A
SCHEMBL16844981 0.83 CHRM2 (0.44) LMNACYP1A2CHRM2CYP3A4HTR1A
SCHEMBL31298793 0.83 LMNA (0.55) LMNACYP1A2CHRM2CYP3A4HTR1A

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