SCHEMBL8897685

SCHEMBL8897685

CCCCCCCCC=CCCCCCCCC(=O)OCCNC(=N)N

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.57
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
THRB P10828 1/20 0.54
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
FAAH O00519 2/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
SOAT1 P35610 1/20 0.53
KMT2A Q03164 1/20 0.53
MGLL Q99685 1/20 0.52
DGKA P23743 2/20 0.51
LPAR1 Q92633 2/20 0.50
LPAR2 Q9HBW0 2/20 0.50
ENPP2 Q13822 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
SCHEMBL8897683 1.00 EPHX2 (0.57) EPHX2ALDH1A1MAPTTHRBCNR1
SCHEMBL3921783 0.86 EPHX2 (0.56) EPHX2ALDH1A1MAPTTHRBCNR1
SCHEMBL3928604 0.86 EPHX2 (0.56) EPHX2ALDH1A1MAPTTHRBCNR1
SCHEMBL9860844 0.85 LPAR1 (0.67) EPHX2ALDH1A1MAPTCNR1MEN1
SCHEMBL9860855 0.85 LPAR1 (0.67) EPHX2ALDH1A1MAPTCNR1MEN1
SCHEMBL3363761 0.85 EPHX2 (0.55) EPHX2ALDH1A1MAPTTHRBCNR1
SCHEMBL3362347 0.85 EPHX2 (0.55) EPHX2ALDH1A1MAPTTHRBCNR1
SCHEMBL3363709 0.85 EPHX2 (0.55) EPHX2ALDH1A1MAPTTHRBCNR1
SCHEMBL12179613 0.83 EPHX2 (0.61) EPHX2ALDH1A1MAPTTHRBCNR1
SCHEMBL14760438 0.83 EPHX2 (0.61) EPHX2ALDH1A1MAPTTHRBCNR1

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-0730405-A4 AMPHIPHILIC DERIVATIVES OF GUANIDINE MEGABIOS CORP (US) 1997-02-19 EP disclosed
EP-0730405-A1 AMPHIPHILIC DERIVATIVES OF GUANIDINE MEGABIOS CORPORATION (US) 1996-09-11 EP disclosed
WO-1995014381-A1 AMPHIPHILIC DERIVATIVES OF GUANIDINE MEGABIOS CORPORATION (US) 1995-06-01 WO disclosed