SCHEMBL7751024

SCHEMBL7751024

CCCCCCCC/C=C\CCCCCCCCNC(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.66
EPHX2 P34913 9/20 0.57
TGM2 P21980 1/20 0.55
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
HTT P42858 1/20 0.51
HPGD P15428 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50

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
SCHEMBL11639997 0.94 TGM2 (0.57) FAAHTGM2HTTHPGDSIRT2
SCHEMBL30576727 0.94 TGM2 (0.57) FAAHTGM2HTTHPGDSIRT2
SCHEMBL5355751 0.93 TGM2 (0.56) FAAHTGM2HTTHPGDSIRT2
SCHEMBL3364812 0.85 HTT (0.68) FAAHTGM2HTTHPGDSIRT2
SCHEMBL28969063 0.85 HTT (0.68) FAAHTGM2HTTHPGDSIRT2
SCHEMBL10659971 0.85 HTT (0.68) FAAHTGM2HTTHPGDSIRT2
SCHEMBL16692630 0.85 HTT (0.68) FAAHTGM2HTTHPGDSIRT2
SCHEMBL11973884 0.85 HTT (0.68) FAAHTGM2HTTHPGDSIRT2
SCHEMBL10599151 0.85 HTT (0.68) FAAHTGM2HTTHPGDSIRT2
SCHEMBL14542740 0.84 LMNA (0.57) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019365-A4 NOVEL COMPOSITIONS FOR THE DELIVERY OF NEGATIVELY CHARGED MOLECULES RIBOZYME PHARM INC (US) 2001-01-17 EP disclosed
EP-1019365-A1 NOVEL COMPOSITIONS FOR THE DELIVERY OF NEGATIVELY CHARGED MOLECULES RIBOZYME PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
WO-1999005094-A1 NOVEL COMPOSITIONS FOR THE DELIVERY OF NEGATIVELY CHARGED MOLECULES RIBOZYME PHARMACEUTICALS, INCORPORATED (US) 1999-02-04 WO disclosed