SCHEMBL8030528

SCHEMBL8030528

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MMP9 P14780 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX1 P07099 1/20 0.35
BCHE P06276 3/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL8030531 1.00 EPHX2 (0.39) EPHX2RAB9ANPC1ALDH1A1MMP9
SCHEMBL8030521 0.87 ACHE (0.38) EPHX2RAB9ANPC1ALDH1A1MEN1
SCHEMBL8032378 0.83 MMP9 (0.39) RAB9ANPC1ALDH1A1MMP9MEN1
SCHEMBL8032374 0.83 MMP9 (0.39) RAB9ANPC1ALDH1A1MMP9MEN1
SCHEMBL8021147 0.82 MMP9 (0.40) EPHX2RAB9ANPC1ALDH1A1MMP9
SCHEMBL8021143 0.82 MMP9 (0.40) EPHX2RAB9ANPC1ALDH1A1MMP9
SCHEMBL8034356 0.77 MMP9 (0.40) RAB9ANPC1ALDH1A1MMP9
SCHEMBL8034360 0.77 MMP9 (0.40) RAB9ANPC1ALDH1A1MMP9
SCHEMBL8021205 0.76 MMP9 (0.39) RAB9ANPC1MMP9
SCHEMBL8021210 0.76 MMP9 (0.39) RAB9ANPC1MMP9

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