Sugi Predict

Sugi Predict / Compounds / SCHEMBL6001516

SCHEMBL6001516

SCHEMBL6001516

[CH2]CCCCOC(C)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.34
▸ EPHX1 P07099 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1656553 0.89 DNM1 (0.40) DNM1EPHX1CA1CA2ALDH1A1
SCHEMBL8639866 0.83 DNM1 (0.50) DNM1EPHX1CA1CA2ALDH1A1
SCHEMBL4141679 0.82 DNM1 (0.53) DNM1EPHX1ALDH1A1
SCHEMBL28945728 0.82 DNM1 (0.53) DNM1EPHX1ALDH1A1
SCHEMBL28389824 0.82 DNM1 (0.53) DNM1EPHX1ALDH1A1
SCHEMBL7673548 0.81 CA1 (0.43) DNM1EPHX1CA1CA2ALDH1A1
SCHEMBL8672648 0.79 CDC25A (0.32) DNM1ALDH1A1
SCHEMBL5203783 0.78 GAA (0.33) DNM1EPHX1CA1CA2ALDH1A1
SCHEMBL25429944 0.76 — —
SCHEMBL6579073 0.76 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 — — EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 — — WO disclosed