SCHEMBL8399737

SCHEMBL8399737

CCCCN(CCCC)CCCCC(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 6/20 0.53
DGKA P23743 1/20 0.52
CYP1A2 P05177 1/20 0.52
DNM1 Q05193 1/20 0.51
KDM4C Q9H3R0 3/20 0.50
PHF8 Q9UPP1 2/20 0.50
PAM P19021 2/20 0.47
TSHR P16473 2/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TRPA1 O75762 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL11802987 0.98 DGKA (0.55) KDM5ADGKACYP1A2DNM1KDM4C
SCHEMBL19150283 0.96 DGKA (0.57) KDM5ADGKACYP1A2DNM1KDM4C
SCHEMBL18831846 0.94 DGKA (0.60) KDM5ADGKACYP1A2DNM1KDM4C
SCHEMBL6955669 0.94 CYP1A2 (0.53) KDM5ADGKACYP1A2DNM1KDM4C
SCHEMBL10989917 0.91 DGKA (0.55) KDM5ADGKACYP1A2DNM1KDM4C
SCHEMBL8466798 0.90 CYP1A2 (0.48) KDM5ADGKACYP1A2DNM1KDM4C
SCHEMBL21441714 0.90 CYP1A2 (0.53) KDM5ADGKACYP1A2DNM1TSHR
SCHEMBL19478720 0.90 CYP1A2 (0.48) KDM5ADGKACYP1A2DNM1KDM4C
SCHEMBL6844300 0.87 CYP1A2 (0.46) KDM5ADGKACYP1A2DNM1KDM4C
SCHEMBL8398822 0.85 CYP1A2 (0.52) KDM5ADGKACYP1A2DNM1KDM4C

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