SCHEMBL6939879

SCHEMBL6939879

O=C(NC1CCCCC1)ONC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.61
RAB9A P51151 4/20 0.56
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP3A4 P08684 1/20 0.56
EPHX2 P34913 1/20 0.56
NPSR1 Q6W5P4 1/20 0.47
MMP2 P08253 3/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
MMP8 P22894 1/20 0.47
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MAPK1 P28482 1/20 0.47
DUSP3 P51452 1/20 0.47

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
SCHEMBL973092 0.81 EPHX1 (0.48) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL27700578 0.81 EPHX1 (0.48) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL20647726 0.81 EPHX1 (0.65) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL28423169 0.79 EPHX1 (0.69) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL15700754 0.79 EPHX1 (0.63) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL19426060 0.79 EPHX1 (0.63) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL19426065 0.79 EPHX1 (0.63) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8393998 0.79 EPHX1 (0.63) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL17169490 0.79 EPHX1 (0.63) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1067515 0.79 EPHX1 (0.63) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0992497-B1 Manufactoring process for 1,3-Dialkyl-2-imidazolinones MITSUI CHEMICALS INC (JP) 2003-12-17 EP disclosed
US-6492528-B1 1,3-DIALKYL-2-IMIDAZOLIDINONES IN A DIRECT ONE-STEP REACTION FROM INDUSTRIALLY AVAILABLE ALKYLENE CARBONATE, N-ALKYLETHANOLAMINE OR 1,2-DIOL, WHICH CAN MINIMIZE FORMING SOLID MATERIALS AND BE READILY CONDUCTED IN AN INDUSTRIAL MITSUI CHEMICALS, INC. (JP) 2002-12-10 US disclosed
EP-1148051-A2 1,3-dialkyl-2-imidazolidinones and a manufacturing process therefor Mitsui Chemicals, Inc. (JP) 2001-10-24 EP disclosed
EP-1148052-A2 1,3-dialkyl-2-imidazolidinones and a manufacturing process therefor Mitsui Chemicals, Inc. (JP) 2001-10-24 EP disclosed
EP-0992497-A1 1,3-Dialkyl-2-imidazolidinones and a manufacturing process therefor Mitsui Chemicals, Inc. (JP) 2000-04-12 EP disclosed