SCHEMBL16350376

SCHEMBL16350376

CCOC(=O)[C@@H]1C[C@@H](N=[N+]=[N-])CN1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.52
▸ ANPEP P15144 2/20 0.52
▸ DPP7 Q9UHL4 5/20 0.36
▸ DPP4 P27487 4/20 0.36
▸ DPP8 Q6V1X1 4/20 0.36
▸ DPP9 Q86TI2 4/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ FKBP1A P62942 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32

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
SCHEMBL13920777 1.00 MMP2 (0.52) MMP2ANPEPDPP7DPP4DPP8
SCHEMBL15482322 0.86 MMP2 (0.70) MMP2ANPEPDPP7DPP4DPP8
SCHEMBL13768839 0.86 MMP2 (0.70) MMP2ANPEPDPP7DPP4DPP8
SCHEMBL13494285 0.86 MMP2 (0.70) MMP2ANPEPDPP7DPP4DPP8
SCHEMBL13841888 0.86 MMP2 (0.70) MMP2ANPEPDPP7DPP4DPP8
SCHEMBL13937654 0.86 MMP2 (0.70) MMP2ANPEPDPP7DPP4DPP8
SCHEMBL20215871 0.86 MMP2 (0.70) MMP2ANPEPDPP7DPP4DPP8
SCHEMBL23038367 0.84 MMP2 (0.51) MMP2ANPEPDPP7DPP4DPP8
SCHEMBL13836866 0.84 MMP2 (0.51) MMP2ANPEPDPP7DPP4DPP8
SCHEMBL20705291 0.84 MMP2 (0.51) MMP2ANPEPDPP7DPP4DPP8

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-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 — — US disclosed
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