SCHEMBL6936558

SCHEMBL6936558

CC(C)NC(=O)OC(C)CN

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
LMNA P02545 4/20 0.37
CYP3A4 P08684 1/20 0.37
NFKB1 P19838 1/20 0.37
ADRA1A P35348 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSK P43235 6/20 0.33
CTSL P07711 3/20 0.33
CTSB P07858 3/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CYP2C9 P11712 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 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
SCHEMBL20733126 0.85 PDCD1LG2 (0.32) TSHRLMNACTSKCTSLCTSB
SCHEMBL21994867 0.80
SCHEMBL21676282 0.80 ALDH1A1 (0.38) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL20186755 0.77 CHRNB2 (0.41) TSHRLMNACTSKCHRM2CHRM4
SCHEMBL28716764 0.75 POLB (0.35) TSHRLMNACTSKCTSLCTSB
SCHEMBL19818898 0.75 LMNA (0.32) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL16884458 0.75 TSHR (0.59) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL11468912 0.74 TSHR (0.38) TSHRLMNAADRA1ACHRM2CHRM4
SCHEMBL1106982 0.74 TSHR (0.46) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL11346817 0.74 TSHR (0.38) TSHRLMNAADRA1ACHRM2CHRM4

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-1148052-A2 1,3-dialkyl-2-imidazolidinones and a manufacturing process therefor Mitsui Chemicals, Inc. (JP) 2001-10-24 EP disclosed
EP-1148051-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