SCHEMBL7511071

SCHEMBL7511071

O=C(NCCCl)NCCC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.64
SIGMAR1 Q99720 2/20 0.42
PRMT3 O60678 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.41
BCHE P06276 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL24930734 0.94 EPHX1 (0.56) EPHX1SIGMAR1PRMT3NPC1RAB9A
SCHEMBL7776480 0.90 EPHX1 (0.75) EPHX1SIGMAR1PRMT3NPC1RAB9A
SCHEMBL3420737 0.80 EPHX1 (0.59) EPHX1SIGMAR1PRMT3NPC1RAB9A
SCHEMBL12196108 0.78 EPHX1 (1.00) EPHX1HPGDKDM4EALDH1A1
SCHEMBL14503312 0.76 EPHX1 (0.62) EPHX1SIGMAR1PRMT3NPC1RAB9A
SCHEMBL2926383 0.76 EPHX1 (0.56) EPHX1SIGMAR1PRMT3NPC1RAB9A
SCHEMBL8391133 0.76 EPHX1 (0.61) EPHX1SIGMAR1PRMT3NPC1RAB9A
SCHEMBL6062059 0.76 EPHX1 (0.61) EPHX1SIGMAR1NPC1RAB9AL3MBTL1
SCHEMBL8393790 0.76 EPHX1 (0.61) EPHX1SIGMAR1PRMT3NPC1RAB9A
SCHEMBL10254622 0.76 EPHX1 (0.68) EPHX1KDM4EALDH1A1

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-1044194-A4 RECEPTOR WITH AN AFFINITY FOR COMPOUNDS OF THE OXAZOLINE CLASS UNIV MELBOURNE (AU) 2002-01-09 EP disclosed
EP-1044194-A1 RECEPTOR WITH AN AFFINITY FOR COMPOUNDS OF THE OXAZOLINE CLASS THE UNIVERSITY OF MELBOURNE (AU) 2000-10-18 EP disclosed
WO-1999024411-A1 RECEPTOR WITH AN AFFINITY FOR COMPOUNDS OF THE OXAZOLINE CLASS THE UNIVERSITY OF MELBOURNE (AU) 1999-05-20 WO disclosed