SCHEMBL8032399

SCHEMBL8032399

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 12/20 0.59
MMP1 P03956 4/20 0.41
MMP2 P08253 1/20 0.39
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 1/20 0.37
MMP12 P39900 1/20 0.37
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 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
SCHEMBL8032402 1.00 MMP9 (0.59) MMP9MMP1MMP2RAB9AALDH1A1
SCHEMBL8021143 0.78 MMP9 (0.40) MMP9RAB9AALDH1A1NPC1
SCHEMBL8021147 0.78 MMP9 (0.40) MMP9RAB9AALDH1A1NPC1
SCHEMBL7751613 0.76 MMP9 (0.67) MMP9MMP1MMP2RAB9AMMP12
SCHEMBL7751610 0.76 MMP9 (0.67) MMP9MMP1MMP2RAB9AMMP12
SCHEMBL8032374 0.75 MMP9 (0.39) MMP9RAB9AALDH1A1NPC1L3MBTL1
SCHEMBL8032378 0.75 MMP9 (0.39) MMP9RAB9AALDH1A1NPC1L3MBTL1
SCHEMBL8030531 0.74 EPHX2 (0.39) MMP9RAB9AALDH1A1NPC1
SCHEMBL8030528 0.74 EPHX2 (0.39) MMP9RAB9AALDH1A1NPC1
SCHEMBL8030511 0.73 MMP9 (0.63) MMP9MMP1MMP2MMP12DRD2

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