SCHEMBL8021147

SCHEMBL8021147

O=C(O)C1OC(c2ccccc2)=N[C@H]1CC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.40
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
EPHX2 P34913 1/20 0.38
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EPHX1 P07099 1/20 0.36
NPC1 O15118 1/20 0.36
FAAH O00519 1/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PLK4 O00444 1/20 0.35
PDPK1 O15530 1/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
CHEK2 O96017 1/20 0.35

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
SCHEMBL8021143 1.00 MMP9 (0.40) MMP9PTGESALOX5EPHX2RAB9A
SCHEMBL8030531 0.82 EPHX2 (0.39) MMP9PTGESALOX5EPHX2RAB9A
SCHEMBL8030528 0.82 EPHX2 (0.39) MMP9PTGESALOX5EPHX2RAB9A
SCHEMBL8032402 0.78 MMP9 (0.59) MMP9RAB9AALDH1A1NPC1
SCHEMBL8032399 0.78 MMP9 (0.59) MMP9RAB9AALDH1A1NPC1
SCHEMBL8032374 0.77 MMP9 (0.39) MMP9RAB9AALDH1A1MEN1KMT2A
SCHEMBL8032378 0.77 MMP9 (0.39) MMP9RAB9AALDH1A1MEN1KMT2A
SCHEMBL8030521 0.77 ACHE (0.38) EPHX2RAB9AALDH1A1MEN1KMT2A
SCHEMBL28316772 0.77 MMP9 (0.46) MMP9MEN1KMT2AEPHX1MAPK1
SCHEMBL8021154 0.76 MMP9 (0.44) MMP9RAB9AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127546-A Process for the preparation of oxazoline compound DONG KOOK PHARMACEUTICAL CO., LTD. (KR) 2000-10-03 US disclosed