SCHEMBL5166891

SCHEMBL5166891

CCCCCNC(=O)NC=O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.68
ADH1B P00325 1/20 0.52
ADH1C P00326 1/20 0.52
ADH1A P07327 1/20 0.52
ADH4 P08319 1/20 0.52
ADH7 P40394 1/20 0.52
ZDHHC20 Q5W0Z9 1/20 0.52
ZDHHC2 Q9UIJ5 1/20 0.52
EPHX2 P34913 6/20 0.51
CASP2 P42575 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL967995 0.98 EPHX1 (0.72) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL10867937 0.93 EPHX1 (0.61) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL966939 0.84
SCHEMBL9390 0.84 EPHX1 (0.95) EPHX1EPHX2CASP2SMN1; SMN2
SCHEMBL10545742 0.82 EPHX1 (0.47) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL25271304 0.81 EPHX1 (1.00) EPHX1ZDHHC20ZDHHC2EPHX2CASP2
SCHEMBL25223702 0.81 EPHX1 (1.00) EPHX1ZDHHC20ZDHHC2EPHX2CASP2
SCHEMBL25228459 0.81 EPHX1 (1.00) EPHX1ZDHHC20ZDHHC2EPHX2CASP2
SCHEMBL25278283 0.81 EPHX1 (1.00) EPHX1ZDHHC20ZDHHC2EPHX2CASP2
SCHEMBL25227881 0.81 EPHX1 (1.00) EPHX1ZDHHC20ZDHHC2EPHX2CASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768973-B1 SUBSTITUTED QUINOLONES AICURIS GMBH & CO KG (DE) 2007-12-05 EP disclosed
EP-1768973-A1 SUBSTITUTED QUINOLONES AiCuris GmbH & Co. KG (DE) 2007-04-04 EP disclosed
WO-2006008046-A1 SUBSTITUTED QUINOLONES AICURIS GMBH & CO. KG (DE) 2006-01-26 WO disclosed